Angiotensin-converting enzyme, soluble form
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Other combination Heteromer Protein × 2 其他Polymer 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 30–657 | Not recorded | ILE-PRO-PRO × 1 alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PGE TRIETHYLENE GLYCOL × 2 12P DODECAETHYLENE GLYCOL × 1 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 BMA beta-D-mannopyranose × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；30% PEG 500 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5 and 60 mM divalent cations [Molecular Dimensions (Rotherham, UK) Morpheus A9] | Resolution 1.60 Å R-free 0.211 |
| 2 | Other combination Heteromer Protein × 2 其他Polymer 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain B； UniProt 30–657 | Not recorded | ILE-PRO-PRO × 1 alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1 ACT ACETATE ION × 1 FUC alpha-L-fucopyranose × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；30% PEG 500 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5 and 60 mM divalent cations [Molecular Dimensions (Rotherham, UK) Morpheus A9] | Resolution 1.60 Å R-free 0.211 |
| 3 | Other combination Heteromer Protein × 2 其他Polymer 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain C； UniProt 30–657 | Not recorded | ILE-PRO-PRO × 1 alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 BMA beta-D-mannopyranose × 1 ACT ACETATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 1PE PENTAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；30% PEG 500 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5 and 60 mM divalent cations [Molecular Dimensions (Rotherham, UK) Morpheus A9] | Resolution 1.60 Å R-free 0.211 |
| 4 | Other combination Heteromer Protein × 2 其他Polymer 1 PDB declaration: dimeric（2） Consistent with protein copy count | Chain D； UniProt 30–657 | Not recorded | ILE-PRO-PRO × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 BMA beta-D-mannopyranose × 1 ACT ACETATE ION × 1 FUC alpha-L-fucopyranose × 1 PG4 TETRAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；30% PEG 500 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5 and 60 mM divalent cations [Molecular Dimensions (Rotherham, UK) Morpheus A9] | Resolution 1.60 Å R-free 0.211 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 8QFX | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 2C6F Structure of human somatic angiontensin-I converting enzyme N domain Deposited 2005-11-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–641（612 aa）
Fragment：N DOMAIN, RESIDUES 30-641
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ZN ZINC ION × 1 ACT ACETATE ION × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.9；0.2M LITHIUM SULPHATE, 0.1M SODIUM ACETATE, PH 4.9, 10UM ZINC SULPHATE, 15% POLYETHYLENE GLYCOL 4000
|
Resolution 3.01 Å R-free 0.273 |
| 2C6F Structure of human somatic angiontensin-I converting enzyme N domain Deposited 2005-11-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–641（612 aa）
Fragment：N DOMAIN, RESIDUES 30-641
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 1 ACT ACETATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.9；0.2M LITHIUM SULPHATE, 0.1M SODIUM ACETATE, PH 4.9, 10UM ZINC SULPHATE, 15% POLYETHYLENE GLYCOL 4000
|
Resolution 3.01 Å R-free 0.273 |
| 2OC2 Structure of testis ACE with RXPA380 Deposited 2006-12-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1232（591 aa）
Fragment：Peptidase M2 2 (residues 631-1232)
|
Not recorded | ZN ZINC ION × 1 CL CHLORIDE ION × 2 RX3 N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT OPHAN × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；289 K；13.5% PEG 4000, 0.12M Na Malonate, 90mM Na Acetate pH 4.7, 9uM Zn Acetate , VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.25 Å R-free 0.262 |
| 2XY9 Human Angiotensin converting enzyme in complex with phosphinic tripeptide Deposited 2010-11-16 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
71–654（584 aa）
Fragment：RESIDUES 71-654
|
Not recorded | ACT ACETATE ION × 1 CL CHLORIDE ION × 2 ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 3ES [(2S)-2-({3-[HYDROXYL(2-PHENYL-(1R)-1-{[(BENZYLOXY)[(2S)-2-({3-[HYDROXYL(2-PHENYL-(1R)-1-CARBONYL]-AMINO}ETHYL)PHOSPHINYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]-1-OXO-PROPYL}AMINO)-3-(4-HYDROXY-PHENYL) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.7；13.5% PEG4000,50MM SODIUM ACETATE, PH 4.7 AND 0.01MM ZNSO4
|
Resolution 1.97 Å R-free 0.232 |
| 2XYD human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide Deposited 2010-11-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–639（610 aa）
Fragment：RESIDUES 30-639
|
Mutation：YES | 3ES [(2S)-2-({3-[HYDROXYL(2-PHENYL-(1R)-1-{[(BENZYLOXY)[(2S)-2-({3-[HYDROXYL(2-PHENYL-(1R)-1-CARBONYL]-AMINO}ETHYL)PHOSPHINYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]-1-OXO-PROPYL}AMINO)-3-(4-HYDROXY-PHENYL) × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 2.15 Å R-free 0.256 |
| 2XYD human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide Deposited 2010-11-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–639（610 aa）
Fragment：RESIDUES 30-639
|
Mutation：YES | 3ES [(2S)-2-({3-[HYDROXYL(2-PHENYL-(1R)-1-{[(BENZYLOXY)[(2S)-2-({3-[HYDROXYL(2-PHENYL-(1R)-1-CARBONYL]-AMINO}ETHYL)PHOSPHINYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]-1-OXO-PROPYL}AMINO)-3-(4-HYDROXY-PHENYL) × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 2.15 Å R-free 0.256 |
| 2YDM Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of captopril Deposited 2011-03-22 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Not recorded | ZN ZINC ION × 1 CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SLC SELENO-CAPTOPRIL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.7；100MM SODIUM ACETATE, 10UM ZINC SULPHATE, 15% PEG4000, pH 4.7
|
Resolution 2.44 Å R-free 0.263 |
| 3BKK Tesis ACE co-crystal structure with ketone ACE inhibitor kAF Deposited 2007-12-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1232（591 aa）
Fragment：PEPTIDASE M2 2 DOMAIN
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 2 KAF N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；289 K；sodium acetate, PEG 4000, ZnSO4, pH 4.7, temperature 289K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.17 Å R-free 0.251 |
| 3BKL Testis ACE co-crystal structure with ketone ACE inhibitor kAW Deposited 2007-12-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1232（591 aa）
Fragment：Peptidase M2 2 domain
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 2 ACT ACETATE ION × 3 KAW N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；289 K；sodium acetate, PEG 4000, ZnSO4, pH 4.7, temperature 289K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.18 Å R-free 0.240 |
| 3L3N Testis ACE co-crystal structure with novel inhibitor lisW Deposited 2009-12-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1232（591 aa）
Fragment：Peptidase M2 2, residues 642-1232
|
Mutation：E669G, N695Q,N760Q,N942Q,N1191Q | ZN ZINC ION × 1 CL CHLORIDE ION × 2 LSW N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；289 K；sodium acetate, PEG 4000, ZnSO4, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.30 Å R-free 0.266 |
| 3NXQ Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407 Deposited 2010-07-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–658（629 aa）
Fragment：N domain (UNP residues 30-657)
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L, R629L | ZN ZINC ION × 1 RX4 N~2~-acetyl-N-{(1R)-1-[(S)-[(2S)-3-{[(2S)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-L-alpha-asparagine × 1 P6G HEXAETHYLENE GLYCOL × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；289 K；150nl condition Morpheus A9 (0.06M divalents, 0.1M Tris/Bicine pH 8.5, 30% PEG550mme/PEG20K) and 150nl additive G10 (0.2% w/v 1,4-Cyclohexanedicarboxylic acid, 0.2% w/v 2,5-Pyridinedicarboxylic acid, 0.2% w/v Glutaric acid, 0.2% w/v trans-1,2-Cyclohexanedicarboxylic acid, 0.2% w/v trans-Aconitic acid, 0.02 M HEPES sodium pH 6.8) , VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
Resolution 1.99 Å R-free 0.237 |
| 3NXQ Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407 Deposited 2010-07-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–658（629 aa）
Fragment：N domain (UNP residues 30-657)
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L, R629L | ZN ZINC ION × 1 RX4 N~2~-acetyl-N-{(1R)-1-[(S)-[(2S)-3-{[(2S)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-L-alpha-asparagine × 1 P6G HEXAETHYLENE GLYCOL × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；289 K；150nl condition Morpheus A9 (0.06M divalents, 0.1M Tris/Bicine pH 8.5, 30% PEG550mme/PEG20K) and 150nl additive G10 (0.2% w/v 1,4-Cyclohexanedicarboxylic acid, 0.2% w/v 2,5-Pyridinedicarboxylic acid, 0.2% w/v Glutaric acid, 0.2% w/v trans-1,2-Cyclohexanedicarboxylic acid, 0.2% w/v trans-Aconitic acid, 0.02 M HEPES sodium pH 6.8) , VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
Resolution 1.99 Å R-free 0.237 |
| 4APH Human angiotensin-converting enzyme in complex with angiotensin-II Deposited 2012-04-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Not recorded | CL CHLORIDE ION × 2 ZN ZINC ION × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACT ACETATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.7；50MM SODIUM ACETATE PH 4.7, 16% PEG4000, 10UM ZNSO4
|
Resolution 1.99 Å R-free 0.240 |
| 4APJ Human angiotensin-converting enzyme in complex with BPPb Deposited 2012-04-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Not recorded | CL CHLORIDE ION × 3 SO4 SULFATE ION × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 3 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.7；50MM SODIUM ACETATE PH 4.7, 15% PEG4000, 10UM ZNSO4
|
Resolution 2.60 Å R-free 0.256 |
| 4BXK Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with a domain-specific inhibitor Deposited 2013-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
Fragment：N DOMAIN, RESIDUES 30-657
|
Mutation：YES | PEG DI(HYDROXYETHYL)ETHER × 3 P6G HEXAETHYLENE GLYCOL × 1 1IU [3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1R)-1-[[(2R)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 2.20 Å R-free 0.220 |
| 4BXK Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with a domain-specific inhibitor Deposited 2013-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
Fragment：N DOMAIN, RESIDUES 30-657
|
Mutation：YES | PEG DI(HYDROXYETHYL)ETHER × 2 P6G HEXAETHYLENE GLYCOL × 1 1IU [3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1R)-1-[[(2R)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 2.20 Å R-free 0.220 |
| 4BZR Human testis angiotensin converting enzyme in complex with K-26 Deposited 2013-07-29 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Not recorded | ACT ACETATE ION × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 K26 N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID × 1 CL CHLORIDE ION × 2 ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.7；50MM SODIUM ACETATE PH 4.7, 16% PEG4000, 10UM ZNSO4
|
Resolution 1.84 Å R-free 0.252 |
| 4BZS Human angiotenisn converting enzyme N-domain in complex with K-26 Deposited 2013-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
Fragment：N DOMAIN, RESIDUES 30-657
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 P6G HEXAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 K26 N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID × 1 9X6 thiodiglycolic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；MORPHEUS A9 (0.06M DIVALENTS, 0.1M TRIS/BICINE PH 8.5, 30% PEG550MME/PEG20K) SILVER BULLET G3 SOLUTION (HAMPTON RESEARCH) ADDITIVE. 1:1:1 PROTEIN:RESERVOIR:ADDITIVE
|
Resolution 2.10 Å R-free 0.277 |
| 4BZS Human angiotenisn converting enzyme N-domain in complex with K-26 Deposited 2013-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
Fragment：N DOMAIN, RESIDUES 30-657
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 K26 N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID × 1 9X6 thiodiglycolic acid × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；MORPHEUS A9 (0.06M DIVALENTS, 0.1M TRIS/BICINE PH 8.5, 30% PEG550MME/PEG20K) SILVER BULLET G3 SOLUTION (HAMPTON RESEARCH) ADDITIVE. 1:1:1 PROTEIN:RESERVOIR:ADDITIVE
|
Resolution 2.10 Å R-free 0.277 |
| 4C2N Crystal structure of human testis angiotensin-I converting enzyme mutant E403R Deposited 2013-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4；0.1M MIB BUFFER PH4.0, 10UM ZINC SULFATE, 5% GLYCEROL, 15% PEG3350
|
Resolution 2.59 Å R-free 0.263 |
| 4C2O Crystal structure of human testis angiotensin-I converting enzyme mutant D465T Deposited 2013-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Mutation：YES | SO4 SULFATE ION × 1 CL CHLORIDE ION × 2 ZN ZINC ION × 1 MLA MALONIC ACID × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4；0.1M MIB BUFFER PH4.0, 10UM ZINC SULFATE, 5% GLYCEROL, 15% PEG3350
|
Resolution 1.80 Å R-free 0.213 |
| 4C2P Crystal structure of human testis angiotensin-I converting enzyme mutant R522K in complex with captopril Deposited 2013-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 2 X8Z L-CAPTOPRIL × 1 ACT ACETATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4；0.1M MIB BUFFER PH4.0, 10UM ZINC SULFATE, 5% GLYCEROL, 15% PEG3350
|
Resolution 1.99 Å R-free 0.247 |
| 4C2Q Crystal structure of human testis angiotensin-I converting enzyme mutant R522K Deposited 2013-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4；0.1M MIB BUFFER PH4.0, 10UM ZINC SULFATE, 5% GLYCEROL, 15% PEG3350
|
Resolution 2.40 Å R-free 0.245 |
| 4C2R Crystal structure of human testis angiotensin-I converting enzyme mutant R522Q Deposited 2013-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
68–656（589 aa）
Fragment：EXTRACELLULAR DOMAIN, RESIDUES 68-656
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4；0.1M MIB BUFFER PH4.0, 10UM ZINC SULFATE, 5% GLYCEROL, 15% PEG3350
|
Resolution 2.30 Å R-free 0.238 |
| 4CA5 Human Angiotensin converting enzyme in complex with a phosphinic tripeptide FI Deposited 2013-10-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
68–656（589 aa）
Fragment：RESIDUES 68-656
|
Not recorded | ZN ZINC ION × 1 CL CHLORIDE ION × 2 ACT ACETATE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 1 3EF N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4；0.1M MIB PH4.0, 10UM ZINC SULPHATE, 5% GLYCEROL, 15% PEG3350
|
Resolution 1.85 Å R-free 0.213 |
| 4CA6 Human Angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide FI Deposited 2013-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–639（610 aa）
Fragment：RESIDUES 30-639
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 PG4 TETRAETHYLENE GLYCOL × 1 3EF N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.91 Å R-free 0.223 |
| 4CA6 Human Angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide FI Deposited 2013-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–639（610 aa）
Fragment：RESIDUES 30-639
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 3EF N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.91 Å R-free 0.223 |
| 4UFA Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD Deposited 2015-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
Fragment：N DOMAIN (UNP RESIDUES 30-657)
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 2 P6G HEXAETHYLENE GLYCOL × 1 SAC N-ACETYL-SERINE × 1 ASP ASPARTIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.228 |
| 4UFA Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD Deposited 2015-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
Fragment：N DOMAIN (UNP RESIDUES 30-657)
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 2 P6G HEXAETHYLENE GLYCOL × 2 SAC N-ACETYL-SERINE × 1 ASP ASPARTIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.228 |
| 4UFB Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro Deposited 2015-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
Fragment：N DOMAIN (UNP RESIDUES 30-657)
|
Mutation：YES | LYS LYSINE × 1 PRO PROLINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 P6G HEXAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.235 |
| 4UFB Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro Deposited 2015-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
Fragment：N DOMAIN (UNP RESIDUES 30-657)
|
Mutation：YES | LYS LYSINE × 1 PRO PROLINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 4 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.235 |
| 4UFB Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro Deposited 2015-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–657（628 aa）
Fragment：N DOMAIN (UNP RESIDUES 30-657)
|
Mutation：YES | LYS LYSINE × 1 PRO PROLINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.235 |
| 4UFB Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro Deposited 2015-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
30–657（628 aa）
Fragment：N DOMAIN (UNP RESIDUES 30-657)
|
Mutation：YES | LYS LYSINE × 1 PRO PROLINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 P6G HEXAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.235 |
| 5AM8 Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 4-10 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.90 Å R-free 0.224 |
| 5AM8 Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 4-10 Deposited 2015-03-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 4 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.90 Å R-free 0.224 |
| 5AM8 Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 4-10 Deposited 2015-03-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PEG DI(HYDROXYETHYL)ETHER × 5 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.90 Å R-free 0.224 |
| 5AM8 Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 4-10 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 5 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.90 Å R-free 0.224 |
| 5AM9 Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 10-16 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 4 GLU GLUTAMIC ACID × 1 VAL VALINE × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.229 |
| 5AM9 Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 10-16 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 P6G HEXAETHYLENE GLYCOL × 2 GLU GLUTAMIC ACID × 1 VAL VALINE × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.229 |
| 5AM9 Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 10-16 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | GLN GLUTAMINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 4 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.229 |
| 5AM9 Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 10-16 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | GLN GLUTAMINE × 1 LYS LYSINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.229 |
| 5AMA Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 1-16 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ASP ASPARTIC ACID × 1 SER SERINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 3 P6G HEXAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.218 |
| 5AMA Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 1-16 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ASP ASPARTIC ACID × 1 SER SERINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.218 |
| 5AMA Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 1-16 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ASP ASPARTIC ACID × 1 SER SERINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 3 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.218 |
| 5AMA Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 1-16 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | ASP ASPARTIC ACID × 1 SER SERINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 P6G HEXAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.218 |
| 5AMB Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 35-42 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-657
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/ BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.55 Å R-free 0.181 |
| 5AMB Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 35-42 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-657
|
Mutation：YES | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 P6G HEXAETHYLENE GLYCOL × 2 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/ BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.55 Å R-free 0.181 |
| 5AMC Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta fluorogenic fragment 4-10 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | GLY GLYCINE × 1 NIY META-NITRO-TYROSINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.65 Å R-free 0.242 |
| 5AMC Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta fluorogenic fragment 4-10 Deposited 2015-03-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–658（629 aa）
Fragment：N DOMAIN, UNP RESIDUES 30-658
|
Mutation：YES | GLY GLYCINE × 1 NIY META-NITRO-TYROSINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 PG4 TETRAETHYLENE GLYCOL × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.65 Å R-free 0.242 |
| 6EN5 Crystal structure A of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. Deposited 2017-10-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 7 ACT ACETATE ION × 2 PE3 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.75 Å R-free 0.198 |
| 6EN5 Crystal structure A of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. Deposited 2017-10-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 5 EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.75 Å R-free 0.198 |
| 6EN5 Crystal structure A of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. Deposited 2017-10-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 8 ACT ACETATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.75 Å R-free 0.198 |
| 6EN5 Crystal structure A of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. Deposited 2017-10-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 2 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.75 Å R-free 0.198 |
| 6EN6 Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. Deposited 2017-10-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 2 ACT ACETATE ION × 2 PGE TRIETHYLENE GLYCOL × 1 BCN BICINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.226 |
| 6EN6 Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. Deposited 2017-10-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 8 ACT ACETATE ION × 3 PGE TRIETHYLENE GLYCOL × 2 2PE NONAETHYLENE GLYCOL × 1 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.226 |
| 6EN6 Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. Deposited 2017-10-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 4 ACT ACETATE ION × 3 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.226 |
| 6EN6 Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. Deposited 2017-10-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 9 ACT ACETATE ION × 5 PGE TRIETHYLENE GLYCOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.226 |
| 6F9R Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp. Deposited 2017-12-15 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 D0W Sampatrilat-Asp × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.85 Å R-free 0.228 |
| 6F9R Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp. Deposited 2017-12-15 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 D0W Sampatrilat-Asp × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.85 Å R-free 0.228 |
| 6F9T Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat. Deposited 2017-12-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1232（591 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 D0Z Sampatrilat × 1 CL CHLORIDE ION × 2 IMD IMIDAZOLE × 2 BO3 BORIC ACID × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 3 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB Buffer pH 4.0, 5% Glycerol, 15% PEG 3350
|
Resolution 1.60 Å R-free 0.187 |
| 6F9U Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat-Asp. Deposited 2017-12-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1232（591 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 2 1PE PENTAETHYLENE GLYCOL × 1 D0W Sampatrilat-Asp × 1 BO3 BORIC ACID × 1 IMD IMIDAZOLE × 2 EDO 1,2-ETHANEDIOL × 6 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB Buffer pH 4.0, 5% Glycerol, 15% PEG 3350
|
Resolution 1.90 Å R-free 0.209 |
| 6F9V Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat. Deposited 2017-12-15 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 D0Z Sampatrilat × 1 CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.69 Å R-free 0.212 |
| 6F9V Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat. Deposited 2017-12-15 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 D0Z Sampatrilat × 1 CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 2 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.69 Å R-free 0.212 |
| 6H5W Crystal structure of human Angiotensin-1 converting enzyme C-domain in complex with Omapatrilat. Deposited 2018-07-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1232（591 aa）
|
Mutation：E64G, N90Q, N155Q, N337Q, N586Q Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 CL CHLORIDE ION × 2 FT8 Omapatrilat × 3 IMD IMIDAZOLE × 1 BO3 BORIC ACID × 3 P6G HEXAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB Buffer pH 4.0, 5% Glycerol, 16% PEG 3350
|
Resolution 1.37 Å R-free 0.175 |
| 6H5X Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Omapatrilat. Deposited 2018-07-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 FT8 Omapatrilat × 1 CL CHLORIDE ION × 1 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME?PEG20000
|
Resolution 1.80 Å R-free 0.204 |
| 6H5X Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Omapatrilat. Deposited 2018-07-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 FT8 Omapatrilat × 1 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 5 MG MAGNESIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME?PEG20000
|
Resolution 1.80 Å R-free 0.204 |
| 6QS1 Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with BPPb Deposited 2019-02-20 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
30–657（628 aa）
|
Mutation：N9Q, N25Q. N82Q, N117Q, N131Q, N289Q, Q545R, P576L | XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 2 BO3 BORIC ACID × 4 PGE TRIETHYLENE GLYCOL × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.232 |
| 6QS1 Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with BPPb Deposited 2019-02-20 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q. N82Q, N117Q, N131Q, N289Q, Q545R, P576L | EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 BO3 BORIC ACID × 3 ZN ZINC ION × 1 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.232 |
| 6TT1 Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with 33RE. Deposited 2019-12-23 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BO3 BORIC ACID × 2 ZN ZINC ION × 1 1IU [3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1R)-1-[[(2R)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid × 1 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.237 |
| 6TT1 Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with 33RE. Deposited 2019-12-23 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BO3 BORIC ACID × 1 ZN ZINC ION × 1 1IU [3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1R)-1-[[(2R)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid × 1 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.237 |
| 6TT3 Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with SG6. Deposited 2019-12-23 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | BO3 BORIC ACID × 3 ZN ZINC ION × 1 CL CHLORIDE ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 4 BCN BICINE × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30 % PEG550MME/PEG20000
|
Resolution 1.70 Å R-free 0.221 |
| 6TT3 Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with SG6. Deposited 2019-12-23 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | BO3 BORIC ACID × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 BCN BICINE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30 % PEG550MME/PEG20000
|
Resolution 1.70 Å R-free 0.221 |
| 6TT4 Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with omapatrilat. Deposited 2019-12-23 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 FT8 Omapatrilat × 1 CL CHLORIDE ION × 1 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 BCN BICINE × 1 BO3 BORIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.222 |
| 6TT4 Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with omapatrilat. Deposited 2019-12-23 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 FT8 Omapatrilat × 1 CL CHLORIDE ION × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 4 BCN BICINE × 1 BO3 BORIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.80 Å R-free 0.222 |
| 6ZPQ Crystal structure of the open conformation of Angiotensin-1 converting enzyme N-domain. Deposited 2020-07-09 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | BO3 BORIC ACID × 3 BCN BICINE × 2 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 5 PGE TRIETHYLENE GLYCOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.85 Å R-free 0.214 |
| 6ZPQ Crystal structure of the open conformation of Angiotensin-1 converting enzyme N-domain. Deposited 2020-07-09 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | BO3 BORIC ACID × 1 BCN BICINE × 1 PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 2 PGE TRIETHYLENE GLYCOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MXE 2-METHOXYETHANOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.85 Å R-free 0.214 |
| 6ZPQ Crystal structure of the open conformation of Angiotensin-1 converting enzyme N-domain. Deposited 2020-07-09 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | BO3 BORIC ACID × 1 BCN BICINE × 1 EDO 1,2-ETHANEDIOL × 3 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 MXE 2-METHOXYETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.85 Å R-free 0.214 |
| 6ZPQ Crystal structure of the open conformation of Angiotensin-1 converting enzyme N-domain. Deposited 2020-07-09 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | BO3 BORIC ACID × 3 BCN BICINE × 1 EDO 1,2-ETHANEDIOL × 4 PGE TRIETHYLENE GLYCOL × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 1.85 Å R-free 0.214 |
| 6ZPT Crystal structure of the open conformation of S2_S'-mutant human Angiotensin-1 converting enzyme N-domain. Deposited 2020-07-09 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L, S260T, E262S, D354E, S357V, T358V, Y369F, R381E, E431D | BCN BICINE × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 2.80 Å R-free 0.278 |
| 6ZPT Crystal structure of the open conformation of S2_S'-mutant human Angiotensin-1 converting enzyme N-domain. Deposited 2020-07-09 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L, S260T, E262S, D354E, S357V, T358V, Y369F, R381E, E431D | BCN BICINE × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 2.80 Å R-free 0.278 |
| 6ZPT Crystal structure of the open conformation of S2_S'-mutant human Angiotensin-1 converting enzyme N-domain. Deposited 2020-07-09 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L, S260T, E262S, D354E, S357V, T358V, Y369F, R381E, E431D | BCN BICINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 2.80 Å R-free 0.278 |
| 6ZPT Crystal structure of the open conformation of S2_S'-mutant human Angiotensin-1 converting enzyme N-domain. Deposited 2020-07-09 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L, S260T, E262S, D354E, S357V, T358V, Y369F, R381E, E431D | BCN BICINE × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 2.80 Å R-free 0.278 |
| 6ZPU Crystal structure of Angiotensin-1 converting enzyme C-domain with inserted symmetry molecule C-terminus. Deposited 2020-07-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Mutation：E64G, N90Q, N155Q, N337Q, N586Q | ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 3 ZN ZINC ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350
|
Resolution 2.00 Å R-free 0.235 |
| 7Q24 Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011 Deposited 2021-10-23 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | PEG DI(HYDROXYETHYL)ETHER × 3 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 2 P6G HEXAETHYLENE GLYCOL × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 8KC (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.214 |
| 7Q24 Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011 Deposited 2021-10-23 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | PEG DI(HYDROXYETHYL)ETHER × 1 ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 8KC (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid × 1 PG4 TETRAETHYLENE GLYCOL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.214 |
| 7Q25 Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012 Deposited 2021-10-23 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | 8J9 (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACT ACETATE ION × 2 1PE PENTAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 2 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.60 Å R-free 0.212 |
| 7Q25 Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012 Deposited 2021-10-23 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | 8J9 (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.60 Å R-free 0.212 |
| 7Q26 Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013 Deposited 2021-10-23 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | 8JV (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 2 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.70 Å R-free 0.215 |
| 7Q26 Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013 Deposited 2021-10-23 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | 8JV (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PGE TRIETHYLENE GLYCOL × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.70 Å R-free 0.215 |
| 7Q27 Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD011 Deposited 2021-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Mutation：E64G, N90Q, N155Q, N337Q, N586Q | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 1 ZN ZINC ION × 1 8KC (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid × 1 CL CHLORIDE ION × 2 BO3 BORIC ACID × 5 1PE PENTAETHYLENE GLYCOL × 1 IMD IMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 16% PEG 3350
|
Resolution 1.50 Å R-free 0.178 |
| 7Q28 Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD012 Deposited 2021-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Mutation：E54G, N90Q, N155Q, N337Q, N586Q | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BO3 BORIC ACID × 3 8J9 (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350
|
Resolution 1.65 Å R-free 0.183 |
| 7Q29 Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013 Deposited 2021-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Mutation：E46G, N90Q, N155Q, N337Q, N586Q | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BO3 BORIC ACID × 5 IMD IMIDAZOLE × 1 8JV (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 1 1PE PENTAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350
|
Resolution 1.60 Å R-free 0.184 |
| 7Q3Y Structure of full-length, monomeric, soluble somatic angiotensin I-converting enzyme showing the N- and C-terminal ellipsoid domains Deposited 2021-10-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–1240（1211 aa）
|
Mutation：P576L | ZN ZINC ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；Solutions were prepared with deionized water
cryo-EM vitrification conditions
Cryogen ETHANE；Diluted protein (in buffer containing zinc chloride and sodium chloride) was incubated on ice for 30 minutes after which it was applied to the grid, incubated for 30 seconds, and blotted for 3 seconds before plunging
|
Resolution 4.34 Å |
| 7Q49 Local refinement structure of the N-domain of full-length, monomeric, soluble somatic angiotensin I-converting enzyme Deposited 2021-10-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–1240（1211 aa）
|
Mutation：P576L | ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；Solutions were prepared with deionized water
cryo-EM vitrification conditions
Cryogen ETHANE；Diluted protein (in buffer containing zinc chloride and sodium chloride) was incubated on ice for 30 minutes after which it was applied to the grid, incubated for 30 seconds, and blotted for 3 seconds before plunging
|
Resolution 3.72 Å |
| 7Q4C Local refinement structure of the C-domain of full-length, monomeric, soluble somatic angiotensin I-converting enzyme Deposited 2021-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–1240（1211 aa）
|
Mutation：P576L | CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；Solutions were prepared with deionized water
cryo-EM vitrification conditions
Cryogen ETHANE；Diluted protein (in buffer containing zinc chloride and sodium chloride) was incubated on ice for 30 minutes after which it was applied to the grid, incubated for 30 seconds, and blotted for 3 seconds before plunging
|
Resolution 4.08 Å |
| 7Q4D Local refinement structure of the two interacting N-domains of full-length, dimeric, soluble somatic angiotensin I-converting enzyme Deposited 2021-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–1240（1211 aa）
|
Mutation：P576L | ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；Solutions were prepared with deionized water
cryo-EM vitrification conditions
Cryogen ETHANE；Diluted protein (in buffer containing zinc chloride and sodium chloride) was incubated on ice for 30 minutes after which it was applied to the grid, incubated for 30 seconds, and blotted for 3 seconds before plunging
|
Resolution 3.78 Å |
| 7Q4D Local refinement structure of the two interacting N-domains of full-length, dimeric, soluble somatic angiotensin I-converting enzyme Deposited 2021-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–1240（1211 aa）
|
Mutation：P576L | ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；Solutions were prepared with deionized water
cryo-EM vitrification conditions
Cryogen ETHANE；Diluted protein (in buffer containing zinc chloride and sodium chloride) was incubated on ice for 30 minutes after which it was applied to the grid, incubated for 30 seconds, and blotted for 3 seconds before plunging
|
Resolution 3.78 Å |
| 7Q4E Local refinement structure of a single N-domain of full-length, dimeric, soluble somatic angiotensin I-converting enzyme Deposited 2021-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–1240（1211 aa）
|
Mutation：P576L | ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；Solutions were prepared with deionized water
cryo-EM vitrification conditions
Cryogen ETHANE；Diluted protein (in buffer containing zinc chloride and sodium chloride) was incubated on ice for 30 minutes after which it was applied to the grid, incubated for 30 seconds, and blotted for 3 seconds before plunging
|
Resolution 3.63 Å |
| 7Z6Z Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat Deposited 2022-03-14 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | KS8 fosinoprilat × 1 PEG DI(HYDROXYETHYL)ETHER × 5 PGE TRIETHYLENE GLYCOL × 3 PG4 TETRAETHYLENE GLYCOL × 2 ACT ACETATE ION × 4 EDO 1,2-ETHANEDIOL × 4 ZN ZINC ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.75 Å R-free 0.200 |
| 7Z6Z Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat Deposited 2022-03-14 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | KS8 fosinoprilat × 1 PEG DI(HYDROXYETHYL)ETHER × 3 ACT ACETATE ION × 6 EDO 1,2-ETHANEDIOL × 8 ZN ZINC ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.75 Å R-free 0.200 |
| 7Z70 Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with fosinoprilat Deposited 2022-03-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Mutation：E64G, N90Q, N155Q, N337Q, N586Q Non-standard monomer：Yes (specific site not provided by mmCIF) | KS8 fosinoprilat × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BO3 BORIC ACID × 2 ACT ACETATE ION × 1 IMD IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 3 ZN ZINC ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350
|
Resolution 1.85 Å R-free 0.213 |
| 8QHL Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide VPP Deposited 2023-09-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 2 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；30% PEG 550 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5, and 60 mM divalent cations (molecular dimensions screen, Morpheus A9)
|
Resolution 1.90 Å R-free 0.233 |
| 8QHL Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide VPP Deposited 2023-09-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 PG4 TETRAETHYLENE GLYCOL × 1 BCN BICINE × 1 MG MAGNESIUM ION × 1 1PE PENTAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；30% PEG 550 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5, and 60 mM divalent cations (molecular dimensions screen, Morpheus A9)
|
Resolution 1.90 Å R-free 0.233 |
| 9CLX Angiotensin I converting enzyme full-length dimer Deposited 2024-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–1235（1235 aa）
Chain B
1–1235（1235 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.65 Å |
| 9D55 Apo ACE full dimer 2 prepared by chameleon Deposited 2024-08-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–1235（1235 aa）
Chain B
1–1235（1235 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 5.5
cryo-EM vitrification conditions
Cryogen ETHANE；Grids prepared at NCCAT using Chameleon
|
Resolution 3.15 Å |
| 9D5M Apo ACE full dimer 1 prepared by chameleon Deposited 2024-08-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–1235（1235 aa）
Chain B
1–1235（1235 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 5.5
cryo-EM vitrification conditions
Cryogen ETHANE；Grids prepared at NCCAT using Chameleon
|
Resolution 3.05 Å |
| 9D5S Apo ACE full dimer 3 prepared by chameleon Deposited 2024-08-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain 1
1–1235（1235 aa）
Chain A
1–1235（1235 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 5.5
cryo-EM vitrification conditions
Cryogen ETHANE；Grids prepared at NCCAT using Chameleon
|
Resolution 2.99 Å |
| 9GBL Human Angiotensin-1 converting enzyme C-domain in complex with a diprolyl inhibitor- SG18 Deposited 2024-07-31 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Not recorded | ZN ZINC ION × 1 CL CHLORIDE ION × 2 A1IJY (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289.15 K；0.1 M MIB pH 4.0, 5% glycerol, and 15% PEG 3350
|
Resolution 2.40 Å R-free 0.249 |
| 9GBM Human Angiotensin-1 converting enzyme C-domain in complex with a diprolyl inhibitor- SG3 Deposited 2024-07-31 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Not recorded | ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 1 BO3 BORIC ACID × 1 CL CHLORIDE ION × 2 A1IJW (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-aminophenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；289.15 K；0.1 M MIB pH 4.0, 5% glycerol, and 15% PEG 3350
|
Resolution 1.90 Å R-free 0.217 |
| 9GBN Human Angiotensin-1 converting enzyme C-domain in complex with a diprolyl inhibitor- SG15 Deposited 2024-07-31 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 2 A1IJZ (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289.15 K；0.1 M MIB pH 4.0, 5% glycerol, and 15% PEG 3350
|
Resolution 2.00 Å R-free 0.232 |
| 9GBO Human Angiotensin-1 converting enzyme C-domain in complex with a diprolyl inhibitor- SG16 Deposited 2024-07-31 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Not recorded | ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 2 BJ2 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289.15 K；0.1 M MIB pH 4.0, 5% glycerol, and 15% PEG 3350
|
Resolution 2.00 Å R-free 0.255 |
| 9GBP Human Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor- SG3 Deposited 2024-07-31 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | A1IJW (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-aminophenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 PG4 TETRAETHYLENE GLYCOL × 1 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；1 M Tris/Bicine pH 8.5
60 mM divalent cations (MgCl2 and CaCl2)
30% PEG 550MME/PEG20K
|
Resolution 2.00 Å R-free 0.230 |
| 9GBP Human Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor- SG3 Deposited 2024-07-31 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | A1IJW (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-aminophenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 PG4 TETRAETHYLENE GLYCOL × 3 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ZN ZINC ION × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；1 M Tris/Bicine pH 8.5
60 mM divalent cations (MgCl2 and CaCl2)
30% PEG 550MME/PEG20K
|
Resolution 2.00 Å R-free 0.230 |
| 9GBQ Human Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor- SG15 Deposited 2024-07-31 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 3 ZN ZINC ION × 1 CL CHLORIDE ION × 1 A1IJZ (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；1 M Tris/Bicine pH8.5
60 mM divalent cations (MgCl2 and CaCl2)
30% PEG550 MME/PEG20K
|
Resolution 1.90 Å R-free 0.212 |
| 9GBQ Human Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor- SG15 Deposited 2024-07-31 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 A1IJZ (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 PG4 TETRAETHYLENE GLYCOL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；1 M Tris/Bicine pH8.5
60 mM divalent cations (MgCl2 and CaCl2)
30% PEG550 MME/PEG20K
|
Resolution 1.90 Å R-free 0.212 |
| 9GBR Human Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor- SG17 Deposited 2024-07-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
30–657（628 aa）
Chain B
30–657（628 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 2 CL CHLORIDE ION × 2 A1IJX (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 2 PGE TRIETHYLENE GLYCOL × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；1 M Tris/Bicine pH8.5
60 mM divalent cations (MgCl2 and CaCl2)
30% PEG550 MME/PEG20K
|
Resolution 1.90 Å R-free 0.225 |
| 9GBS Human Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor- SG18 Deposited 2024-07-31 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | A1IJY (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 2 PGE TRIETHYLENE GLYCOL × 3 P6G HEXAETHYLENE GLYCOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ZN ZINC ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289.15 K；1 M Tris/Bicine pH8.5
60 mM divalent cations (MgCl2 and CaCl2)
30% PEG550 MME/PEG20K
|
Resolution 1.90 Å R-free 0.204 |
| 9GBS Human Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor- SG18 Deposited 2024-07-31 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | A1IJY (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 3 PGE TRIETHYLENE GLYCOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ZN ZINC ION × 1 CL CHLORIDE ION × 1 1PE PENTAETHYLENE GLYCOL × 2 PG4 TETRAETHYLENE GLYCOL × 1 FUC alpha-L-fucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289.15 K；1 M Tris/Bicine pH8.5
60 mM divalent cations (MgCl2 and CaCl2)
30% PEG550 MME/PEG20K
|
Resolution 1.90 Å R-free 0.204 |
| 9H1A Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD014 Deposited 2024-10-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
30–657（628 aa）
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 2 A1IRQ (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 ACY ACETIC ACID × 2 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 FUC alpha-L-fucopyranose × 1 BMA beta-D-mannopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.85 Å R-free 0.208 |
| 9H1B Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD015 Deposited 2024-10-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
30–657（628 aa）
Chain B
30–657（628 aa）
|
Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L Mutation：N9Q, N25Q, N82Q, N117Q, N131Q, N289Q, Q545R, P576L | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PG4 TETRAETHYLENE GLYCOL × 1 ACY ACETIC ACID × 3 EDO 1,2-ETHANEDIOL × 8 PGE TRIETHYLENE GLYCOL × 1 ZN ZINC ION × 2 CL CHLORIDE ION × 2 A1IRR (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid × 2 MG MAGNESIUM ION × 3 PEG DI(HYDROXYETHYL)ETHER × 5 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 1.70 Å R-free 0.209 |
| 9H1C Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD014 Deposited 2024-10-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Mutation：E64G, N90Q, N155Q, N337Q, N586Q | A1IRQ (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid × 1 BO3 BORIC ACID × 3 PGE TRIETHYLENE GLYCOL × 1 IMD IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 16% PEG 3350
|
Resolution 1.80 Å R-free 0.211 |
| 9H1D Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD015 Deposited 2024-10-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Mutation：E64G, N90Q, N155Q, N337Q, N586Q | A1IRR (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid × 1 IMD IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 15.5% PEG 3350
|
Resolution 1.80 Å R-free 0.206 |
| 9H1E Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD016 Deposited 2024-10-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Mutation：E64G, N90Q, N155Q, N337Q, N586Q | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BO3 BORIC ACID × 1 MLA MALONIC ACID × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 2 A1IRS (2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 16% PEG 3350
|
Resolution 1.45 Å R-free 0.183 |
| 9QAM Human angiotensin-1 converting enzyme C-domain in complex with ciprofloxacin Deposited 2025-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
645–1222（578 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 CL CHLORIDE ION × 2 IMD IMIDAZOLE × 1 NXA N-CARBOXYALANINE × 1 MLI MALONATE ION × 1 CPF 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID × 2 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350
|
Resolution 1.85 Å R-free 0.227 |
| 9QAN Human angiotensin-1 converting enzyme C-domain in complex with ramiprilat Deposited 2025-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 IMD IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 2 X92 Ramiprilat × 1 PGE TRIETHYLENE GLYCOL × 1 BO3 BORIC ACID × 2 CL CHLORIDE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289.15 K；0.1 M MIB, 5% glycerol, 15% PEG 3350.
|
Resolution 1.50 Å R-free 0.198 |
| 9QAO Human angiotensin-1 converting enzyme C-domain in complex with trandolaprilat Deposited 2025-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
645–1222（578 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 X93 TRANDOLAPRILAT × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 1 IMD IMIDAZOLE × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289.15 K；0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350
|
Resolution 2.30 Å R-free 0.261 |
| 9QAP Human angiotensin-1 converting enzyme C-domain in complex with quinaprilat Deposited 2025-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
645–1222（578 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 A1I5A quinaprilat × 1 IMD IMIDAZOLE × 1 GOL GLYCEROL × 1 BO3 BORIC ACID × 2 EDO 1,2-ETHANEDIOL × 5 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289.15 K；0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350.
|
Resolution 1.50 Å R-free 0.196 |
| 9QAQ Human angiotensin-1 converting enzyme C-domain in complex with perindoprilat Deposited 2025-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
645–1222（578 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 CL CHLORIDE ION × 2 IMD IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 6 X94 PERINDOPRILAT × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289.15 K；0.1 M MIB pH 4, 5% glycerol, 15% PEG 3350
|
Resolution 1.90 Å R-free 0.222 |
| 9QAR Human angiotensin-1 converting enzyme N-domain in complex with ramiprilat Deposited 2025-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–638（609 aa）
|
Not recorded | ZN ZINC ION × 1 X92 Ramiprilat × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.212 |
| 9QAR Human angiotensin-1 converting enzyme N-domain in complex with ramiprilat Deposited 2025-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–638（609 aa）
|
Not recorded | ZN ZINC ION × 1 X92 Ramiprilat × 1 PGE TRIETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289.15 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.212 |
| 9QAS Human angiotensin-1 converting enzyme N-domain in complex with trandolaprilat Deposited 2025-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
30–638（609 aa）
Chain B
30–638（609 aa）
|
Not recorded | PG4 TETRAETHYLENE GLYCOL × 2 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 5 X93 TRANDOLAPRILAT × 2 EDO 1,2-ETHANEDIOL × 5 PGE TRIETHYLENE GLYCOL × 2 ZN ZINC ION × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.20 Å R-free 0.213 |
| 9QAT Human angiotensin-1 converting enzyme N-domain in complex with quinaprilat Deposited 2025-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–638（609 aa）
|
Not recorded | ZN ZINC ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 6 EDO 1,2-ETHANEDIOL × 3 A1I5A quinaprilat × 1 P6G HEXAETHYLENE GLYCOL × 1 ACT ACETATE ION × 3 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 2.20 Å R-free 0.210 |
| 9QAT Human angiotensin-1 converting enzyme N-domain in complex with quinaprilat Deposited 2025-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–638（609 aa）
|
Not recorded | ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 A1I5A quinaprilat × 1 ACT ACETATE ION × 1 CL CHLORIDE ION × 1 PG4 TETRAETHYLENE GLYCOL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000
|
Resolution 2.20 Å R-free 0.210 |
| 9QAU Human angiotensin-1 converting enzyme N-domain in complex with perindoprilat Deposited 2025-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–637（608 aa）
|
Not recorded | ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X94 PERINDOPRILAT × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.234 |
| 9QAU Human angiotensin-1 converting enzyme N-domain in complex with perindoprilat Deposited 2025-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–637（608 aa）
|
Not recorded | ZN ZINC ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 3 X94 PERINDOPRILAT × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.234 |
| 9QAV Human angiotensin-1 converting enzyme N-domain in complex with enalaprilat Deposited 2025-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–638（609 aa）
|
Not recorded | ZN ZINC ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 4 PGE TRIETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 1 EAL 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.30 Å R-free 0.224 |
| 9QAV Human angiotensin-1 converting enzyme N-domain in complex with enalaprilat Deposited 2025-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–638（609 aa）
|
Not recorded | ZN ZINC ION × 1 PG4 TETRAETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 5 EAL 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.30 Å R-free 0.224 |
| 9SS7 Human angiotensin 1-converting enzyme C-domain in complex with rentiapril Deposited 2025-09-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
646–1229（584 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 A1JPY Rentiapril × 2 MLI MALONATE ION × 2 BO3 BORIC ACID × 1 IMD IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289.15 K；0.1 M MIB Buffer pH 4.0, 5% Glycerol, 15% PEG 3350
|
Resolution 1.95 Å R-free 0.223 |
| 9SS8 Human angiotensin 1-converting enzyme N-domain in complex with rentiapril Deposited 2025-09-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 1 A1JPY Rentiapril × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.217 |
| 9SS8 Human angiotensin 1-converting enzyme N-domain in complex with rentiapril Deposited 2025-09-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 CA CALCIUM ION × 1 A1JPY Rentiapril × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CL CHLORIDE ION × 1 PGE TRIETHYLENE GLYCOL × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.217 |
| 9SS9 Human angiotensin 1-converting enzyme N-domain in complex with captopril Deposited 2025-09-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 2 PGE TRIETHYLENE GLYCOL × 1 BCN BICINE × 1 X8Z L-CAPTOPRIL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.50 Å R-free 0.227 |
| 9SS9 Human angiotensin 1-converting enzyme N-domain in complex with captopril Deposited 2025-09-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 1 PGE TRIETHYLENE GLYCOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CL CHLORIDE ION × 1 MCO 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID × 1 PG4 TETRAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.50 Å R-free 0.227 |
| 9SSA Human angiotensin 1-converting enzyme C-domain in complex with zofenoprilat Deposited 2025-09-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
642–1238（597 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 1 ZED L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 4 GOL GLYCEROL × 1 BO3 BORIC ACID × 1 CL CHLORIDE ION × 2 IMD IMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350
|
Resolution 1.90 Å R-free 0.218 |
| 9SSB Human angiotensin 1-converting enzyme N-domain in complex with zofenoprilat Deposited 2025-09-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 ZED L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S × 1 PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1 PGE TRIETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 1 12P DODECAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.226 |
| 9SSB Human angiotensin 1-converting enzyme N-domain in complex with zofenoprilat Deposited 2025-09-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 ZED L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 4 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.226 |
| 9SSB Human angiotensin 1-converting enzyme N-domain in complex with zofenoprilat Deposited 2025-09-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 ZED L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S × 1 PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 6 PGE TRIETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.226 |
| 9SSB Human angiotensin 1-converting enzyme N-domain in complex with zofenoprilat Deposited 2025-09-25 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
30–657（628 aa）
|
Not recorded | ZN ZINC ION × 1 ZED L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 PGE TRIETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000
|
Resolution 2.00 Å R-free 0.226 |
89 other PDB entries and 147 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ACE_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–628； UniProt 30–657 Author chain B； PDBConstruct 1–628； UniProt 30–657 Author chain C； PDBConstruct 1–628； UniProt 30–657 Author chain D； PDBConstruct 1–628； UniProt 30–657 |
