Neutrophil elastase
OrganismNot specified
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 Monomer Protein × 1 其他Polymer 2 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 30–247 | Fragment：UNP residues 30-247 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[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 HVP 2-(fluorosulfonyl)benzene-1-sulfonic acid × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；0.3 M ammonium citrate, pH 5.0, 14% w/v PEG3350 | Resolution 2.33 Å R-free 0.241 |
| 2 | Other combination Monomer Protein × 1 其他Polymer 2 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 30–247 | Fragment：UNP residues 30-247 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[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 HVP 2-(fluorosulfonyl)benzene-1-sulfonic acid × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；0.3 M ammonium citrate, pH 5.0, 14% w/v PEG3350 | Resolution 2.33 Å R-free 0.241 |
| 3 | Other combination Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain C； UniProt 30–247 | Fragment：UNP residues 30-247 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose × 1 HVP 2-(fluorosulfonyl)benzene-1-sulfonic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；0.3 M ammonium citrate, pH 5.0, 14% w/v PEG3350 | Resolution 2.33 Å R-free 0.241 |
| 4 | Other combination Monomer Protein × 1 其他Polymer 2 PDB declaration: monomeric（1） Consistent with protein copy count | Chain D； UniProt 30–247 | Fragment：UNP residues 30-247 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[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 HVP 2-(fluorosulfonyl)benzene-1-sulfonic acid × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；0.3 M ammonium citrate, pH 5.0, 14% w/v PEG3350 | Resolution 2.33 Å R-free 0.241 |
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 6E69 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1B0F CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE WITH MDL 101, 146 Deposited 1998-11-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Not recorded | SEI 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.00
|
Resolution 3.00 Å |
| 1H1B Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151) Deposited 2002-07-05 | 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
30–50（21 aa）
Chain A
51–108（58 aa）
Chain A
109–110（2 aa）
Chain A
111–160（50 aa）
Chain A
161–174（14 aa）
Chain A
175–183（9 aa）
Chain A
184–200（17 aa）
Chain A
201–202（2 aa）
Chain A
203–247（45 aa）
Chain B
30–50（21 aa）
Chain B
51–108（58 aa）
Chain B
109–110（2 aa）
Chain B
111–160（50 aa）
Chain B
161–174（14 aa）
Chain B
175–183（9 aa）
Chain B
184–200（17 aa）
Chain B
201–202（2 aa）
Chain B
203–247（45 aa）
|
Not recorded | 151 (2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；HNE/GW475151 COMPLEX 10MG/ML IN 10MM NA CITRATE PH 5.0. HANGING DROPS OF EQUAL VOLUMES OF PROTEIN AND PRECIPITANT. PRECIPITANT 1.1-1.2M AMMONIUM SULPHATE, 100MM CITRATE PH 3.8-4.0, ROOM TEMP.
|
Resolution 2.00 Å R-free 0.310 |
| 1HNE Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-angstroms resolution Deposited 1989-04-10 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain E
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.84 Å |
| 1PPF X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN LEUKOCYTE ELASTASE (PMN ELASTASE) AND THE THIRD DOMAIN OF THE TURKEY OVOMUCOID INHIBITOR Deposited 1991-10-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 1PPG The refined 2.3 angstroms crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor Deposited 1991-10-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain E
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 1PPG The refined 2.3 angstroms crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor Deposited 1991-10-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 2RG3 Covalent complex structure of elastase Deposited 2007-10-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；293 K；PEG, HEPES, pH 7.0, VAPOR DIFFUSION, temperature 293K
|
Resolution 1.80 Å |
| 2Z7F Crystal structure of the complex of human neutrophil elastase with 1/2SLPI Deposited 2007-08-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
30–247（218 aa）
Fragment：Peptidase S1 domain
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；0.1M Na-Acetate, 2.0M Na-Formate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
|
Resolution 1.70 Å R-free 0.231 |
| 3Q76 Structure of human neutrophil elastase (uncomplexed) Deposited 2011-01-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1.9 M ammonium sulfate, 5% w/v PEG400, 0.1 M MES-NaOH, 20% v/v glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.86 Å R-free 0.214 |
| 3Q76 Structure of human neutrophil elastase (uncomplexed) Deposited 2011-01-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1.9 M ammonium sulfate, 5% w/v PEG400, 0.1 M MES-NaOH, 20% v/v glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.86 Å R-free 0.214 |
| 3Q77 Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2011-01-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 2HY 2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；20% w/v PEG3350, 0.2 M ammonium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.203 |
| 4NZL Extracellular proteins of Staphylococcus aureus inhibit the neutrophil serine proteases Deposited 2013-12-12 | Different construct 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
30–247（218 aa）
Fragment：mature neutrophil elastase
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；298 K；1.0 M succinic acid, 0.1 M Na-HEPES, 1% (w/v) PEG 2000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.207 |
| 4WVP Crystal structure of an activity-based probe HNE complex Deposited 2014-11-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
30–247（218 aa）
|
Not recorded | SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M Tris pH8, 0.8M ammonium sulfate
|
Resolution 1.63 Å R-free 0.169 |
| 4WVP Crystal structure of an activity-based probe HNE complex Deposited 2014-11-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain E
30–247（218 aa）
|
Not recorded | SO4 SULFATE ION × 9 EDO 1,2-ETHANEDIOL × 18 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M Tris pH8, 0.8M ammonium sulfate
|
Resolution 1.63 Å R-free 0.169 |
| 5A09 Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2015-04-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
Fragment：RESIDUES 30-247
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 JJD 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
28%PEG4000, 0.1MTRIS/HCL AT PH 8.2, 0.7MLICL
|
Resolution 1.81 Å R-free 0.239 |
| 5A0A Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2015-04-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
30–247（218 aa）
|
Not recorded | JJS 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
28%PEG4000,0.1MTRIS/HCL AT PH 8.2,0.7MLICL
|
Resolution 1.78 Å R-free 0.204 |
| 5A0B Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2015-04-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 JJX (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
15% PEG6000, 0.2M AMMONIUM CITRATE
|
Resolution 2.23 Å R-free 0.218 |
| 5A0C Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2015-04-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
Fragment：UNP RESIDUES 30-247
|
Not recorded | JJV (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M MES AT PH6.5,1.2M SODIUMMALONATE
|
Resolution 2.10 Å R-free 0.213 |
| 5A0C Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2015-04-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–247（218 aa）
Fragment：UNP RESIDUES 30-247
|
Not recorded | JJV (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M MES AT PH6.5,1.2M SODIUMMALONATE
|
Resolution 2.10 Å R-free 0.213 |
| 5A8X Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2015-07-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 IUY ethyl (5R)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.23 Å R-free 0.223 |
| 5A8Y Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2015-07-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Not recorded | VBM METHYL {(7R)-6-CYANO-7-(4-CYANOPHENYL)-5-METHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]-4,7-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL}CARBAMATE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 MLI MALONATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å R-free 0.221 |
| 5A8Z Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Deposited 2015-07-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 IUL 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.236 |
| 5ABW Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases Deposited 2015-08-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
Fragment：UNP RESIDUES 30-247
|
Not recorded | WQQ 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE × 1 CL CHLORIDE ION × 3 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.60 Å R-free 0.194 |
| 6F5M Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor Deposited 2017-12-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Not recorded | SO4 SULFATE ION × 2 ACT ACETATE ION × 2 CQH 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；HLE from human blood was purchased from SERVA as a lyophilisate in the presence of sodium acetate puffer, pH 5.5. The lyophilisate was disolved in water so that the HLE concentration was 5 mg/ml (170 micromolar) and the acetate concentration 250 millimolar. 120 microliter dissolved HNE lysophilisate was mixed with 6 microliter inhibitor solution (10 mM in DMSO). 1 microliter of the resulting HLE/inhibitor mixture was mixed with 0.5 microliter reservoir solution which was composed of 20 % PEG MME 5000, 0.2 M potassium sulphate. Repeated seeding was necessary to get usable crystals. In the final seeding step the reservoir was composed of 20 % PEG MME 5000, 0.2 M sodium sulphate.
|
Resolution 2.70 Å R-free 0.234 |
| 6F5M Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor Deposited 2017-12-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–247（218 aa）
|
Not recorded | SO4 SULFATE ION × 2 ACT ACETATE ION × 1 CQH 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；HLE from human blood was purchased from SERVA as a lyophilisate in the presence of sodium acetate puffer, pH 5.5. The lyophilisate was disolved in water so that the HLE concentration was 5 mg/ml (170 micromolar) and the acetate concentration 250 millimolar. 120 microliter dissolved HNE lysophilisate was mixed with 6 microliter inhibitor solution (10 mM in DMSO). 1 microliter of the resulting HLE/inhibitor mixture was mixed with 0.5 microliter reservoir solution which was composed of 20 % PEG MME 5000, 0.2 M potassium sulphate. Repeated seeding was necessary to get usable crystals. In the final seeding step the reservoir was composed of 20 % PEG MME 5000, 0.2 M sodium sulphate.
|
Resolution 2.70 Å R-free 0.234 |
| 6SMA Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249 Deposited 2019-08-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Not recorded | BR BROMIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293.15 K；24% PEG Smear Broad
0.1 M Tris-HCl pH 7.2
0.1 M KSCN
0.1M NaBr
|
Resolution 2.59 Å R-free 0.258 |
| 6SMA Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249 Deposited 2019-08-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
30–247（218 aa）
|
Not recorded | BR BROMIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293.15 K；24% PEG Smear Broad
0.1 M Tris-HCl pH 7.2
0.1 M KSCN
0.1M NaBr
|
Resolution 2.59 Å R-free 0.258 |
| 6SMA Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249 Deposited 2019-08-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
30–247（218 aa）
|
Not recorded | BR BROMIDE ION × 2 LKK 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293.15 K；24% PEG Smear Broad
0.1 M Tris-HCl pH 7.2
0.1 M KSCN
0.1M NaBr
|
Resolution 2.59 Å R-free 0.258 |
| 7CBK Structure of Human Neutrophil Elastase Ecotin complex Deposited 2020-06-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
1–267（267 aa）
Chain D
1–267（267 aa）
|
Not recorded | GOL GLYCEROL × 1 SO4 SULFATE 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；298 K；0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% w/v Polyethylene glycol 3,350
|
Resolution 2.70 Å R-free 0.266 |
| 7WHU Human Neutrophil Elastase in-complex with Ecotin Peptide Deposited 2021-12-31 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
1–267（267 aa）
|
Not recorded | GOL GLYCEROL × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；297 K；0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% w/v Polyethylene glycol 3350 (PEG3350)
|
Resolution 2.89 Å R-free 0.306 |
| 7WHU Human Neutrophil Elastase in-complex with Ecotin Peptide Deposited 2021-12-31 | Different construct 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
1–267（267 aa）
|
Not recorded | GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；297 K；0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% w/v Polyethylene glycol 3350 (PEG3350)
|
Resolution 2.89 Å R-free 0.306 |
| 7WHU Human Neutrophil Elastase in-complex with Ecotin Peptide Deposited 2021-12-31 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–267（267 aa）
|
Not recorded | GOL GLYCEROL × 3 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；297 K；0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% w/v Polyethylene glycol 3350 (PEG3350)
|
Resolution 2.89 Å R-free 0.306 |
| 7WHU Human Neutrophil Elastase in-complex with Ecotin Peptide Deposited 2021-12-31 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–267（267 aa）
|
Not recorded | GOL GLYCEROL × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；297 K；0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% w/v Polyethylene glycol 3350 (PEG3350)
|
Resolution 2.89 Å R-free 0.306 |
| 8D4Q Crystal Structure of Neutrophil Elastase Inhibited by Eap1 from S. aureus Deposited 2022-06-02 | Different construct 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
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；0.1M sodium citrate (pH 5.2),
12% (w/v) PEG-6000
|
Resolution 2.20 Å R-free 0.217 |
| 8D4Q Crystal Structure of Neutrophil Elastase Inhibited by Eap1 from S. aureus Deposited 2022-06-02 | Different construct 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
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；0.1M sodium citrate (pH 5.2),
12% (w/v) PEG-6000
|
Resolution 2.20 Å R-free 0.217 |
| 8D4U Crystal Structure of Neutrophil Elastase Inhibited by Eap2 from S. aureus Deposited 2022-06-02 | 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
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M HEPES (pH 7.5),
0.2M Lithium Sulfate,
25%(w/v) PEG-3350
|
Resolution 1.90 Å R-free 0.230 |
| 8D4U Crystal Structure of Neutrophil Elastase Inhibited by Eap2 from S. aureus Deposited 2022-06-02 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M HEPES (pH 7.5),
0.2M Lithium Sulfate,
25%(w/v) PEG-3350
|
Resolution 1.90 Å R-free 0.230 |
| 8D7I Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.1M BisTris,
0.2M sodium/potassium tartrate,
14% PEG-8000
|
Resolution 3.63 Å R-free 0.217 |
| 8D7I Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.1M BisTris,
0.2M sodium/potassium tartrate,
14% PEG-8000
|
Resolution 3.63 Å R-free 0.217 |
| 8D7I Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain G
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.1M BisTris,
0.2M sodium/potassium tartrate,
14% PEG-8000
|
Resolution 3.63 Å R-free 0.217 |
| 8D7I Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain J
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.1M BisTris,
0.2M sodium/potassium tartrate,
14% PEG-8000
|
Resolution 3.63 Å R-free 0.217 |
| 8D7I Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain M
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.1M BisTris,
0.2M sodium/potassium tartrate,
14% PEG-8000
|
Resolution 3.63 Å R-free 0.217 |
| 8D7I Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain P
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；0.1M BisTris,
0.2M sodium/potassium tartrate,
14% PEG-8000
|
Resolution 3.63 Å R-free 0.217 |
| 8D7K Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 3.6；293 K；0.1M Citric acid,
0.15M Lithium Sulfate,
12% PEG-6000
|
Resolution 3.10 Å R-free 0.258 |
| 8D7K Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 3.6；293 K；0.1M Citric acid,
0.15M Lithium Sulfate,
12% PEG-6000
|
Resolution 3.10 Å R-free 0.258 |
| 8D7K Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain G
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 3.6；293 K；0.1M Citric acid,
0.15M Lithium Sulfate,
12% PEG-6000
|
Resolution 3.10 Å R-free 0.258 |
| 8D7K Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus Deposited 2022-06-07 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain J
30–247（218 aa）
Fragment：UNP residues 30-247
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 3.6；293 K；0.1M Citric acid,
0.15M Lithium Sulfate,
12% PEG-6000
|
Resolution 3.10 Å R-free 0.258 |
| 8G24 Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 5.5 Deposited 2023-02-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris, 0.2 M sodium chloride, 26% w/v PDB3350
|
Resolution 1.82 Å R-free 0.249 |
| 8G25 Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 7.5 Deposited 2023-02-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M lithium sulfate, 26% w/v PEG3350
|
Resolution 1.80 Å R-free 0.283 |
| 8G25 Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 7.5 Deposited 2023-02-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain E
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M lithium sulfate, 26% w/v PEG3350
|
Resolution 1.80 Å R-free 0.283 |
| 8G25 Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 7.5 Deposited 2023-02-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain H
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M lithium sulfate, 26% w/v PEG3350
|
Resolution 1.80 Å R-free 0.283 |
| 8G26 Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 8.5 Deposited 2023-02-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris, 0.2 M magnesium chloride, 25% PEG3350
|
Resolution 1.85 Å R-free 0.238 |
| 8QGX Complex between human neutrophil elastase with nanobody NbE201 Deposited 2023-09-06 | Different construct 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
30–247（218 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；The crystals were grown at 20oC using the sitting drop vapor diffusion method. The drop contained 0.2 uL of hNE in complex with NbE201 at a concentration of 15 mg/mL and 0.2 uL of 0.1M HEPES pH7 buffer with 10 per cent (v/v) polyethylene glycol 5000 monomethyl ether and 5 per cent (v/v) tacsimate. The crystals were transferred to a cryoprotectant solution containing 33 per cent (v/v) polyethylene glycol 6000 and 33 per cent (v/v) glycerol before being frozen in liquid nitrogen.
|
Resolution 2.30 Å R-free 0.271 |
| 8VK5 Human Sputum Leucocyte Elastase (uncomplexed) Deposited 2024-01-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；296 K；0.2 M Lithium sulfate monohydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4,000
|
Resolution 1.56 Å R-free 0.159 |
| 9ASS Crystal Structure of Neutrophil Elastase Inhibited by Eap4 from S. aureus Deposited 2024-02-26 | Different construct 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
30–247（218 aa）
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.01 M zinc sulfate heptahydrate
0.1M MES (pH 6.5)
25% (v/v) peg-550MME
|
Resolution 1.75 Å R-free 0.212 |
| 9ASX BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap3 of S. aureus Deposited 2024-02-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium citrate
0.1 M imidazole (pH 6.8)
22% (w/v) peg-2kMME
|
Resolution 1.96 Å R-free 0.228 |
| 9ATK BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap4 of S. aureus Deposited 2024-02-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium citrate (pH 5.5)
12% (w/v) PEG-6K
|
Resolution 2.11 Å R-free 0.233 |
| 9ATK BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap4 of S. aureus Deposited 2024-02-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium citrate (pH 5.5)
12% (w/v) PEG-6K
|
Resolution 2.11 Å R-free 0.233 |
| 9ATK BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap4 of S. aureus Deposited 2024-02-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain G
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium citrate (pH 5.5)
12% (w/v) PEG-6K
|
Resolution 2.11 Å R-free 0.233 |
| 9ATK BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap4 of S. aureus Deposited 2024-02-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain J
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium citrate (pH 5.5)
12% (w/v) PEG-6K
|
Resolution 2.11 Å R-free 0.233 |
| 9ATU Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus Deposited 2024-02-27 | 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 C
30–247（218 aa）
Chain F
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium acetate
0.1 M Tris-HCl (pH 8.0)
17% (w/v) PEG-10K
|
Resolution 2.05 Å R-free 0.237 |
| 9ATU Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus Deposited 2024-02-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
30–247（218 aa）
Chain C
30–247（218 aa）
Chain D
30–247（218 aa）
Chain F
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium acetate
0.1 M Tris-HCl (pH 8.0)
17% (w/v) PEG-10K
|
Resolution 2.05 Å R-free 0.237 |
| 9ATU Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus Deposited 2024-02-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
30–247（218 aa）
Chain C
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium acetate
0.1 M Tris-HCl (pH 8.0)
17% (w/v) PEG-10K
|
Resolution 2.05 Å R-free 0.237 |
| 9ATU Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus Deposited 2024-02-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium acetate
0.1 M Tris-HCl (pH 8.0)
17% (w/v) PEG-10K
|
Resolution 2.05 Å R-free 0.237 |
| 9ATU Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus Deposited 2024-02-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Other combination Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
30–247（218 aa）
Chain F
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium acetate
0.1 M Tris-HCl (pH 8.0)
17% (w/v) PEG-10K
|
Resolution 2.05 Å R-free 0.237 |
| 9ATU Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus Deposited 2024-02-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
30–247（218 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium acetate
0.1 M Tris-HCl (pH 8.0)
17% (w/v) PEG-10K
|
Resolution 2.05 Å R-free 0.237 |
| 9SI4 Structure of human neutrophil elastase in complex with a 5,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one inhibitor Deposited 2025-08-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
30–247（218 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 FUC alpha-L-fucopyranose × 1 A1JN2 methyl (5~{R})-5-[4-cyano-2-[2-(trimethyl-$l^{4}-azanyl)ethyl]phenyl]-7-methyl-3-oxidanylidene-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；18% PEG-3350, 0.2M ammonium citrate
|
Resolution 1.14 Å R-free 0.155 |
37 other PDB entries and 67 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ELNE_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–218； UniProt 30–247 Author chain B； PDBConstruct 1–218； UniProt 30–247 Author chain C； PDBConstruct 1–218； UniProt 30–247 Author chain D； PDBConstruct 1–218； UniProt 30–247 |
