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

Method: X-RAY DIFFRACTION D_max: 81.0 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Cathepsin G

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 21–255	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
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 21–255	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

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 7H6G	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 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 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 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 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 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
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 mutation/modification Different ligand/ion 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 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 21–243（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 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 21–243（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 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 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 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 21–243（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 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 21–243（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 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 21–243（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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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
8D7K Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus Deposited 2022-06-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 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 3.6；293 K；0.1M Citric acid, 0.15M Lithium Sulfate, 12% PEG-6000	Resolution 3.10 Å R-free 0.258
8D7K Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus Deposited 2022-06-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 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 3.6；293 K；0.1M Citric acid, 0.15M Lithium Sulfate, 12% PEG-6000	Resolution 3.10 Å R-free 0.258
8D7K Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus Deposited 2022-06-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 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 3.6；293 K；0.1M Citric acid, 0.15M Lithium Sulfate, 12% PEG-6000	Resolution 3.10 Å R-free 0.258
8D7K Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap2 from S. aureus Deposited 2022-06-07	Different construct Different oligomeric state Different ligand/ion 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 3.6；293 K；0.1M Citric acid, 0.15M Lithium Sulfate, 12% PEG-6000	Resolution 3.10 Å R-free 0.258
8G24 Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 5.5 Deposited 2023-02-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 36 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 A； PDBConstruct 1–235； UniProt 21–255 Author chain B； PDBConstruct 1–235； UniProt 21–255

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	7h6g
Deposition date deposition_date	2024-04-19
Structure title title	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
Keywords keywords	HUMAN CATHEPSIN G, SERINE PROTEINASE, COMPLEX (SERINE PROTEASE-INHIBITOR) complex, HYDROLASE; HYDROLASE
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	24.91 Å
Radius of gyration Rg (electron density) rg_electron	23.84 Å
Forward intensity I(0) i0	55614500.00
Molecular weight molecular_weight	53191.0 kDa
Excluded volume excluded_volume	64522 Å³
Envelope volume envelope_volume	78724 Å³
Hydration-shell volume shell_volume	27426 Å³
Envelope diameter envelope_diameter	83.0 Å
Shell Rg shell_rg	31.30 Å
Envelope Rg envelope_rg	24.15 Å
Shape Rg shape_rg	23.90 Å
Total Rg total_rg	24.49 Å
Total atoms total_atoms	7252
Residues n_residues	453
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	81.0 Å
Rg (real space) rg_real	24.88 Å
Rg uncertainty (real space) rg_real_error	0.37 Å
I(0) (real space) i0_real	5.5610e+07
I(0) uncertainty (real space) i0_real_error	7.2990e+05
Rg (reciprocal space) rg_reciprocal	24.89 Å
I(0) (reciprocal space) i0_reciprocal	55610000.0000
Solution quality estimate total_estimate	0.8931
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	28.3 Å
Skewness Skewness skewness	0.341
Kurtosis Kurtosis kurtosis	-0.381
Angular range angular_range	— – 0.3200 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	16260000.0000
Real-space data points n_real_points	64
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.877; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.988

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Cathepsin G
Molecular weight formula_weight	26801.8 kDa
EC 编号 ec_number	3.4.21.20
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	8251

IIGGRESRPHSRPYMAYLQIQSPAGQSRCGGFLVREDFVLTAAHCWGSNINVTLGAHNIQRRENTQQHITARRAIRHPQYNQRTIQNDIMLLQLSRRVRRNRNVNPVALPRAQEGLRPGTLCTVAGWGRVSMRRGTDTLREVQLRVQRDRQCLRIFGSYDPRRQICVGDRRERKAAFKGDSGGPLLCNNVAHGIVSYGKSSGVPPEVFTRVSSFLPWIRTTMRSFKLLDQMETPL

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 4 Entity 4 non-polymer

Description description	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
Molecular weight formula_weight	498.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Molecular weight formula_weight	209.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	440

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8. Citations (1)

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Unit-cell length a length_a	49.110 Å
Unit-cell length b length_b	74.450 Å
Unit-cell length c length_c	60.650 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.30 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.210 Å
Low-resolution limit resolution_low	60.630 Å
R factor r_factor	0.1580
R_work r_work	0.1568
R_free r_free	0.1811

fit	/app/data/saxs_computation/h6/7h6g/7h6g.fit
pddf	/app/data/pr_computation/h6/7h6g/7h6g.pr.out
profile	/app/data/saxs_computation/h6/7h6g/7h6g.dat