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8d7k

Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus

Method: X-RAY DIFFRACTION Dmax: 145.5 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Cathepsin G, C-terminal truncated form

OrganismNot specified

UniProt P08311

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain C； UniProt 21–243 Not recorded Extracellular Adherence Protein × 1 （Q99QS1） Neutrophil elastase × 1 （P08246） 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
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain F； UniProt 21–243 Not recorded Extracellular Adherence Protein × 1 （Q99QS1） Neutrophil elastase × 1 （P08246） 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
3 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain I； UniProt 21–243 Not recorded Extracellular Adherence Protein × 1 （Q99QS1） Neutrophil elastase × 1 （P08246） 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
4 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain L； UniProt 21–243 Not recorded Extracellular Adherence Protein × 1 （Q99QS1） Neutrophil elastase × 1 （P08246） 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

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 8D7K Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AU8 HUMAN CATHEPSIN G Deposited 1997-09-12 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 21–244（224 aa）
Not recorded 0H8 N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.0
Resolution 1.90 Å R-free 0.251
1CGH Human cathepsin G Deposited 1996-06-26 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 21–244（224 aa）
Not recorded 1ZG N-(3-carboxypropanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-L-prolinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.0
Resolution 1.80 Å R-free 0.240
1KYN Cathepsin-G Deposited 2002-02-05 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 21–255（235 aa）
Not recorded KTP (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；ammonium sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.50 Å R-free 0.328
1KYN Cathepsin-G Deposited 2002-02-05 Different construct 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 21–255（235 aa）
Not recorded KTP (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；ammonium sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.50 Å R-free 0.328
1T32 A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation Deposited 2004-04-23 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 21–244（224 aa）
Not recorded SO4 SULFATE ION × 5 OHH 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；296 K；PEG 4000, Sodium Hepes, sodium acetate, ammonium sulfate, 2-propanol, pH 7.0, VAPOR DIFFUSION, temperature 296.0K
Resolution 1.85 Å R-free 0.213
6VTM Human Cathepsin-G Inhibited by S. aureus EapH1 Deposited 2020-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 21–244（224 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M lithium sulfate monohydrate, 0.1 M Tris, pH 8.5, 25% w/v PEG3350
Resolution 1.60 Å R-free 0.209
6VTM Human Cathepsin-G Inhibited by S. aureus EapH1 Deposited 2020-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 21–244（224 aa）
Not recorded SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M lithium sulfate monohydrate, 0.1 M Tris, pH 8.5, 25% w/v PEG3350
Resolution 1.60 Å R-free 0.209
6VTM Human Cathepsin-G Inhibited by S. aureus EapH1 Deposited 2020-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 21–244（224 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M lithium sulfate monohydrate, 0.1 M Tris, pH 8.5, 25% w/v PEG3350
Resolution 1.60 Å R-free 0.209
6VTM Human Cathepsin-G Inhibited by S. aureus EapH1 Deposited 2020-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 21–244（224 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M lithium sulfate monohydrate, 0.1 M Tris, pH 8.5, 25% w/v PEG3350
Resolution 1.60 Å R-free 0.209
7H6G THE 1.21 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH N-[2-[6-fluoro-2-[(4-hydroxy-5-methyl-2-oxo-5-phenylfuran-3-yl)-phenylmethyl]-1H-indol-3-yl]ethyl]acetamide Deposited 2024-04-19 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 21–255（235 aa）
Not recorded ZN ZINC ION × 2 SO4 SULFATE ION × 3 A1AOS N-(2-{6-fluoro-2-[(R)-[(5R)-4-hydroxy-5-methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-yl](phenyl)methyl]-1H-indol-3-yl}ethyl)acetamide × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；293 K；0.2 M LiSO4 (Salt), 25 %w/v PEG3350 (Precipitant), 0.1 M HEPES 7.5 pH (Buffer), Protein was at 17 mg/mL.
Resolution 1.21 Å R-free 0.181
7H6G THE 1.21 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH N-[2-[6-fluoro-2-[(4-hydroxy-5-methyl-2-oxo-5-phenylfuran-3-yl)-phenylmethyl]-1H-indol-3-yl]ethyl]acetamide Deposited 2024-04-19 Different construct 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 21–255（235 aa）
Not recorded ZN ZINC ION × 2 SO4 SULFATE ION × 1 A1AOS N-(2-{6-fluoro-2-[(R)-[(5R)-4-hydroxy-5-methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-yl](phenyl)methyl]-1H-indol-3-yl}ethyl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；293 K；0.2 M LiSO4 (Salt), 25 %w/v PEG3350 (Precipitant), 0.1 M HEPES 7.5 pH (Buffer), Protein was at 17 mg/mL.
Resolution 1.21 Å R-free 0.181
7H6H THE 1.94 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]-3-[[methoxycarbonyl(methyl)amino]methyl]indole-2-carboxylic acid Deposited 2024-04-19 Different construct Different mutation/modification 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 21–255（235 aa）
Mutation：NO ZN ZINC ION × 1 A1AO6 1-[(7-fluoronaphthalen-1-yl)methyl]-3-{[(methoxycarbonyl)(methyl)amino]methyl}-1H-indole-2-carboxylic acid × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；293 K；0.2 M LiSO4 (Salt), 25 %w/v PEG3350 (Precipitant), 0.1 M HEPES 7.5 pH (Buffer), Protein was at 17 mg/mL.
Resolution 1.94 Å R-free 0.232
8D4S Crystal Structure of Cathepsin G Inhibited by Eap1 from S. aureus Deposited 2022-06-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 21–243（223 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350
Resolution 1.95 Å R-free 0.261
8D4S Crystal Structure of Cathepsin G Inhibited by Eap1 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 C 21–243（223 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350
Resolution 1.95 Å R-free 0.261
8D4S Crystal Structure of Cathepsin G Inhibited by Eap1 from S. aureus Deposited 2022-06-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 21–243（223 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350
Resolution 1.95 Å R-free 0.261
8D4S Crystal Structure of Cathepsin G Inhibited by Eap1 from S. aureus Deposited 2022-06-02 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 21–243（223 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350
Resolution 1.95 Å R-free 0.261
8D4V Crystal Structure of Cathepsin G 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 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 21–243（223 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris (pH 6.5), 0.2M Ammonium Sulfate, 25%(w/v) PEG-3350
Resolution 1.85 Å R-free 0.251
8D4V Crystal Structure of Cathepsin G 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 C 21–243（223 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris (pH 6.5), 0.2M Ammonium Sulfate, 25%(w/v) PEG-3350
Resolution 1.85 Å R-free 0.251
8D7I Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus Deposited 2022-06-07 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 21–243（223 aa）
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 experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–243（223 aa）
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 experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 21–243（223 aa）
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 experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain L 21–243（223 aa）
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 experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain O 21–243（223 aa）
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 experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 21–243（223 aa）
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
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 experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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 experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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 experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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 experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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 A 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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
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 A 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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 B 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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 E 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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 H 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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 K 21–243（223 aa） Fragment：C-terminal truncation (UNP residues 21-243)
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

15 other PDB entries and 34 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CATG_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain C； PDBConstruct 1–223； UniProt 21–243 Author chain F； PDBConstruct 1–223； UniProt 21–243 Author chain I； PDBConstruct 1–223； UniProt 21–243 Author chain L； PDBConstruct 1–223； UniProt 21–243

Extracellular Adherence Protein

Staphylococcus aureus subsp. aureus

UniProt Q99QS1

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain B； UniProt 158–254 Not recorded Cathepsin G, C-terminal truncated form × 1 （P08311） Neutrophil elastase × 1 （P08246） 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
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain E； UniProt 158–254 Not recorded Cathepsin G, C-terminal truncated form × 1 （P08311） Neutrophil elastase × 1 （P08246） 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
3 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain H； UniProt 158–254 Not recorded Cathepsin G, C-terminal truncated form × 1 （P08311） Neutrophil elastase × 1 （P08246） 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
4 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain K； UniProt 158–254 Not recorded Cathepsin G, C-terminal truncated form × 1 （P08311） Neutrophil elastase × 1 （P08246） 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

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 8D7K Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1YN3 Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens Deposited 2005-01-23 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 160–254（95 aa） Fragment：residues 160-254
Mutation：V253I No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；PEG 8000, ammonium sulfate, MES, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 1.35 Å R-free 0.230
1YN3 Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens Deposited 2005-01-23 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 160–254（95 aa） Fragment：residues 160-254
Mutation：V253I No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；PEG 8000, ammonium sulfate, MES, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 1.35 Å R-free 0.230
8D4O Crystal Structure of the Neutrophil Serine Protease Inhibitor 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 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 49–145（97 aa）
Not recorded NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate trihydrate, 2.0 M sodium chloride
Resolution 1.45 Å R-free 0.197
8D4O Crystal Structure of the Neutrophil Serine Protease Inhibitor 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 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 49–145（97 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate trihydrate, 2.0 M sodium chloride
Resolution 1.45 Å R-free 0.197
8D4O Crystal Structure of the Neutrophil Serine Protease Inhibitor Eap1 from S. aureus Deposited 2022-06-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 49–145（97 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate trihydrate, 2.0 M sodium chloride
Resolution 1.45 Å R-free 0.197
8D4O Crystal Structure of the Neutrophil Serine Protease Inhibitor Eap1 from S. aureus Deposited 2022-06-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 49–145（97 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate trihydrate, 2.0 M sodium chloride
Resolution 1.45 Å R-free 0.197
8D4Q Crystal Structure of Neutrophil Elastase Inhibited by Eap1 from S. aureus Deposited 2022-06-02 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 49–145（97 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 experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 49–145（97 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
8D4S Crystal Structure of Cathepsin G 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 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 49–145（97 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350
Resolution 1.95 Å R-free 0.261
8D4S Crystal Structure of Cathepsin G 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 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 49–145（97 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350
Resolution 1.95 Å R-free 0.261
8D4S Crystal Structure of Cathepsin G 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 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 49–145（97 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350
Resolution 1.95 Å R-free 0.261
8D4S Crystal Structure of Cathepsin G 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 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 49–145（97 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350
Resolution 1.95 Å R-free 0.261
8D4U Crystal Structure of Neutrophil Elastase Inhibited by Eap2 from S. aureus Deposited 2022-06-02 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 158–254（97 aa）
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 D 158–254（97 aa）
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
8D4V Crystal Structure of Cathepsin G 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 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 158–254（97 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris (pH 6.5), 0.2M Ammonium Sulfate, 25%(w/v) PEG-3350
Resolution 1.85 Å R-free 0.251
8D4V Crystal Structure of Cathepsin G 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 D 158–254（97 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris (pH 6.5), 0.2M Ammonium Sulfate, 25%(w/v) PEG-3350
Resolution 1.85 Å R-free 0.251
8D7I Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus Deposited 2022-06-07 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 49–145（97 aa）
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 construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 49–145（97 aa）
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 construct Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 49–145（97 aa）
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 construct Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 49–145（97 aa）
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 construct Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 49–145（97 aa）
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 construct Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain Q 49–145（97 aa）
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
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 C 372–476（105 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 C 267–363（97 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 C 372–476（105 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 F 372–476（105 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 I 372–476（105 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 L 372–476（105 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 experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 372–476（105 aa）
Chain E 372–476（105 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 experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 372–476（105 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 experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 372–476（105 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 experimental conditions Different structure-quality metrics Assembly 5 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 372–476（105 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 experimental conditions Different structure-quality metrics Assembly 6 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 372–476（105 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

11 other PDB entries and 33 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MAP_STAAM
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 4–100； UniProt 158–254 Author chain E； PDBConstruct 4–100； UniProt 158–254 Author chain H； PDBConstruct 4–100； UniProt 158–254 Author chain K； PDBConstruct 4–100； UniProt 158–254

Neutrophil elastase

OrganismNot specified

UniProt P08246

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 30–247 Fragment：UNP residues 30-247 Cathepsin G, C-terminal truncated form × 1 （P08311） Extracellular Adherence Protein × 1 （Q99QS1） 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
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain D； UniProt 30–247 Fragment：UNP residues 30-247 Cathepsin G, C-terminal truncated form × 1 （P08311） Extracellular Adherence Protein × 1 （Q99QS1） 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
3 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain G； UniProt 30–247 Fragment：UNP residues 30-247 Cathepsin G, C-terminal truncated form × 1 （P08311） Extracellular Adherence Protein × 1 （Q99QS1） 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
4 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain J； UniProt 30–247 Fragment：UNP residues 30-247 Cathepsin G, C-terminal truncated form × 1 （P08311） Extracellular Adherence Protein × 1 （Q99QS1） 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

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 8D7K 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 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 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 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 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 oligomeric state 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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
6E69 Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments Deposited 2018-07-24 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 30–247（218 aa） Fragment：UNP residues 30-247
Not recorded 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
6E69 Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments Deposited 2018-07-24 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 30–247（218 aa） Fragment：UNP residues 30-247
Not recorded 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
6E69 Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments Deposited 2018-07-24 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 30–247（218 aa） Fragment：UNP residues 30-247
Not recorded 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
6E69 Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments Deposited 2018-07-24 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 30–247（218 aa） Fragment：UNP residues 30-247
Not recorded 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
6F5M Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor Deposited 2017-12-01 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 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 30–247（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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 30–247（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 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 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 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 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 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 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 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 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 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
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 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 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 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 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 oligomeric state 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 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 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 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 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 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 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–247（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 3
Chains and sequence ranges Author chain A； PDBConstruct 1–218； UniProt 30–247 Author chain D； PDBConstruct 1–218； UniProt 30–247 Author chain G； PDBConstruct 1–218； UniProt 30–247 Author chain J； PDBConstruct 1–218； UniProt 30–247

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 8d7k

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8d7k
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8d7k
Deposition date deposition_date2022-06-07
Structure title titleBifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus
Keywords keywordsProtease Inhibitor, Immune Evasion, Neutrophil, S. aureus, PROTEIN BINDING, HYDROLASE-INHIBITOR, PROTEIN BINDING complex; HYDROLASE/INHIBITOR,PROTEIN BINDING
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier43.81 Å
Radius of gyration Rg (electron density) rg_electron43.29 Å
Forward intensity I(0) i0887477000.00
Molecular weight molecular_weight237560.0 kDa
Excluded volume excluded_volume295200 ų
Envelope volume envelope_volume406100 ų
Hydration-shell volume shell_volume77409 ų
Envelope diameter envelope_diameter158.8 Å
Shell Rg shell_rg49.42 Å
Envelope Rg envelope_rg41.96 Å
Shape Rg shape_rg43.27 Å
Total Rg total_rg43.63 Å
Total atoms total_atoms16684
Residues n_residues2152
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax145.5 Å
Rg (real space) rg_real43.72 Å
Rg uncertainty (real space) rg_real_error1.21 Å
I(0) (real space) i0_real8.8750e+08
I(0) uncertainty (real space) i0_real_error1.4960e+07
Rg (reciprocal space) rg_reciprocal43.81 Å
I(0) (reciprocal space) i0_reciprocal887600000.0000
Solution quality estimate total_estimate0.8606
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary56.6 Å
Skewness Skewness skewness0.325
Kurtosis Kurtosis kurtosis-0.107
Angular range angular_range— – 0.1800 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha69640000.0000
Real-space data points n_real_points37
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.780; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.850
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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8. Citations (1)

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9. Files and Curves (10)