← Back to search
3usn

STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE THIADIAZOLE INHIBITOR IPNU-107859, NMR, 1 STRUCTURE

Method: SOLUTION NMR Dmax: 55.7 Å Quality: REASONABLE
▼

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

STROMELYSIN-1

Homo sapiens

UniProt P08254

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 100–267 Fragment：CATALYTIC DOMAIN, RESIDUES 83(1) - 250(168) ZN ZINC ION × 2 CA CALCIUM ION × 3 ATT 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE × 1 SOLUTION NMR NMR measurement conditions：pH 6.6；300 K Resolution not provided

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 3USN Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1B3D STROMELYSIN-1 Deposited 1998-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa）
Chain B 100–272（173 aa）
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 S27 N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.4；20-24% PEG 8000, 2.5% 2-PROPANOL, 10 MM CACL2 0.1 M TRIS-HCL BUFFER, PH 7.5-8.5, pH 7.4
Resolution 2.30 Å R-free 0.263
1B8Y X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY Deposited 1999-02-03 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–266（167 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 SO4 SULFATE ION × 1 IN7 [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；pH 6.5, VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.214
1B8Y X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY Deposited 1999-02-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–266（167 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 SO4 SULFATE ION × 2 IN7 [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；pH 6.5, VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.214
1BIW DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS Deposited 1998-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa）
Chain B 100–272（173 aa）
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 S80 N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；10 MG/ML PROTEIN IN 20-24% PEG 8000, 2.5% 2-PROPANOL, 10MM CACL2 AND 0.1M TRIS HCL BUFFER, PH 7.5-8.0
Resolution 2.50 Å R-free 0.275
1BM6 SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 COMPLEXED TO A POTENT NON-PEPTIDIC INHIBITOR, NMR, 20 STRUCTURES Deposited 1998-07-29 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 2 HAV HYDROXYAMINOVALINE × 1 3MP 3-METHYLPYRIDINE × 1 MSB 1-METHYLOXY-4-SULFONE-BENZENE × 1 SOLUTION NMR
NMR measurement conditions pH 6.8；310 K
Resolution not provided
1BQO DISCOVERY OF POTENT, ACHIRAL MATRIX METALLOPROTEINASE INHIBITORS Deposited 1998-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa）
Chain B 100–272（173 aa）
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 N25 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；pH 7.5
Resolution 2.30 Å R-free 0.294
1BQO DISCOVERY OF POTENT, ACHIRAL MATRIX METALLOPROTEINASE INHIBITORS Deposited 1998-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa）
Chain B 100–272（173 aa）
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 N25 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；pH 7.5
Resolution 2.30 Å R-free 0.294
1BQO DISCOVERY OF POTENT, ACHIRAL MATRIX METALLOPROTEINASE INHIBITORS Deposited 1998-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 100–272（173 aa）
Chain B 100–272（173 aa）
Not recorded ZN ZINC ION × 6 CA CALCIUM ION × 9 N25 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；pH 7.5
Resolution 2.30 Å R-free 0.294
1C3I HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 Deposited 1999-07-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 TR1 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG, POTASSIUM CHLORIDE, CALCIUM CHLORIDE, CACODYLATE, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.83 Å
1C3I HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 Deposited 1999-07-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 TR1 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG, POTASSIUM CHLORIDE, CALCIUM CHLORIDE, CACODYLATE, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.83 Å
1C8T HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 Deposited 1999-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 103–269（167 aa） Fragment：CATALYTIC DOMAIN
Chain B 103–269（167 aa） Fragment：CATALYTIC DOMAIN
Mutation：E202Q, S252P Mutation：E202Q, S252P ZN ZINC ION × 4 CA CALCIUM ION × 6 TR1 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG, potassium chloride, calcium chloride, cacodylate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.60 Å
1CAQ X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY Deposited 1999-02-23 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–267（168 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 SO4 SULFATE ION × 1 DPS 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.80 Å R-free 0.225
1CAQ X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY Deposited 1999-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–267（168 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 SO4 SULFATE ION × 2 DPS 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.80 Å R-free 0.225
1CIZ X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY Deposited 1999-04-06 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–267（168 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 SO4 SULFATE ION × 1 DPS 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.64 Å R-free 0.245
1CIZ X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY Deposited 1999-04-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–267（168 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 SO4 SULFATE ION × 2 DPS 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.64 Å R-free 0.245
1CQR CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION Deposited 1999-08-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20-24% PEG 8000, 2.5% 2-propanol, 10mM CaCl2, 0.1 M Tris-HCL buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Resolution 2.00 Å R-free 0.266
1CQR CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION Deposited 1999-08-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa）
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20-24% PEG 8000, 2.5% 2-propanol, 10mM CaCl2, 0.1 M Tris-HCL buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Resolution 2.00 Å R-free 0.266
1CQR CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION Deposited 1999-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa）
Chain B 100–272（173 aa）
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20-24% PEG 8000, 2.5% 2-propanol, 10mM CaCl2, 0.1 M Tris-HCL buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Resolution 2.00 Å R-free 0.266
1CQR CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION Deposited 1999-08-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa）
Chain B 100–272（173 aa）
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20-24% PEG 8000, 2.5% 2-propanol, 10mM CaCl2, 0.1 M Tris-HCL buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Resolution 2.00 Å R-free 0.266
1D5J CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR. Deposited 1999-10-07 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 MM3 N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-3(S)-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, NACL, MGCL2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.60 Å R-free 0.257
1D5J CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR. Deposited 1999-10-07 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 MM3 N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-3(S)-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, NACL, MGCL2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.60 Å R-free 0.257
1D7X CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR. Deposited 1999-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 SPC N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, SODIUM CHLORIDE, MAGNESIUM CHLORIDE, TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.227
1D8F CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR. Deposited 1999-10-22 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.252
1D8F CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR. Deposited 1999-10-22 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 SPI N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.252
1D8M CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR Deposited 1999-10-25 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.44 Å R-free 0.315
1D8M CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR Deposited 1999-10-25 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 BBH 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.44 Å R-free 0.315
1G05 HETEROCYCLE-BASED MMP INHIBITOR WITH P2'SUBSTITUENTS Deposited 2000-10-05 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.45 Å R-free 0.293
1G05 HETEROCYCLE-BASED MMP INHIBITOR WITH P2'SUBSTITUENTS Deposited 2000-10-05 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 BBH 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.45 Å R-free 0.293
1G49 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2000-10-26 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, NaCl, MgCl2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 1.90 Å R-free 0.253
1G49 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2000-10-26 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 111 (1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-PYRROLIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 6000, NaCl, MgCl2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 1.90 Å R-free 0.253
1G4K X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin Deposited 2000-10-27 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 83–250（168 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 HQQ 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG-MME 5000, ammonium sulfate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.284
1G4K X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin Deposited 2000-10-27 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 83–250（168 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 HQQ 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG-MME 5000, ammonium sulfate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.284
1G4K X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin Deposited 2000-10-27 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 83–250（168 aa） Fragment：CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 HQQ 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG-MME 5000, ammonium sulfate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.284
1HFS CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-764,004 Deposited 1997-02-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 105–264（160 aa）
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 L04 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å R-free 0.217
1HY7 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2001-01-18 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 100-272
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.220
1HY7 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2001-01-18 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 100-272
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 MBS R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.220
1HY7 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2001-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 100-272
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 100-272
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 MBS R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.220
1HY7 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2001-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 100-272
Chain B 100–272（173 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 100-272
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 MBS R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.220
1OO9 Orientation in Solution of MMP-3 Catalytic Domain and N-TIMP-1 from Residual Dipolar Couplings Deposited 2003-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 100–267（168 aa） Fragment：CATALYTIC DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6；310 K；Ionic strength (raw mmCIF value) 20mM Tris-d11; 100 mM NaCl; 15 mM CaCl2; 3uM ZnCl2; 1mM Sodium Azide；Pressure ambient
NMR measurement conditions pH 6.7；307 K；Ionic strength (raw mmCIF value) 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2;1mM Sodium Azide；Pressure ambient
NMR sample composition 0.8mM MMP-3 U-15N, 13C; 0.8mM N-TIMP-1; 20mM Tris-d11; 100 mM NaCl; 15 mM CaCl2; 3uM ZnCl2; 1mM Sodium Azide; 93% H2O, 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.5mM MMP-3 U-2H, 15N; 0.5mM N-TIMP-1; 20mM Tris-d11; 100 mM NaCl; 15 mM CaCl2; 3uM ZnCl2; 1mM Sodium Azide; 93% H2O, 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.66mM N-TIMP-1 U-15N, 13C; 0.66mM MMP-3(E202Q); 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2; 1mM Sodium Azide; 93% H2O; 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.3mM 98% 2H/15N N-TIMP-1; 0.3mM MMP-3 (E202Q); 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2; 1mM Sodium Azide; 93% H2O; 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.3mM 98% 2H/15N N-TIMP-1; 0.3mM (15N-IV, 15N, 13C-L)MMP-3(E202Q); 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2; 1mM Sodium Azide; 93% H2O; 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.3mM 98% 2H/15N N-TIMP-1; 0.3mM (15N-IV, 15N, 13C-L)MMP-3(E202Q); 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2; 1mM Sodium Azide; 93% H2O; 7% D2O 5% PEG(C12E6)/1-hexanol | 93% H2O; 7% D2O 5% PEG(C12E6)/1-hexanol
Resolution not provided
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 106–267（162 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 106–267（162 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 106–267（162 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 106–267（162 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 106–267（162 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 89-250
Chain C 106–267（162 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 106–267（162 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 89-250
Chain D 106–267（162 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.240
1QIC CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 106–266（161 aa） Fragment：CATALYTIC DOMAIN RESIDUES 89-249
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.270
1QIC CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 106–266（161 aa） Fragment：CATALYTIC DOMAIN RESIDUES 89-249
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.270
1QIC CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 106–266（161 aa） Fragment：CATALYTIC DOMAIN RESIDUES 89-249
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.270
1QIC CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 106–266（161 aa） Fragment：CATALYTIC DOMAIN RESIDUES 89-249
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.00 Å R-free 0.270
1SLM CRYSTAL STRUCTURE OF FIBROBLAST STROMELYSIN-1: THE C-TRUNCATED HUMAN PROENZYME Deposited 1995-08-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 18–272（255 aa） Fragment：PROPEPTIDE, CATALYTIC
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；HANGING DROP VAPOR DIFFUSION. 2.0 MICROLITER DROPS OF PROENZYME SOLUTION (10 MG/ML PROTEIN, 5.0 MILLIMOLAR CALCIUM CHLORIDE, 50 MICROMOLAR ZINC ACETATE, 0.02% SODIUM AZIDE, 20 MILLIMOLAR MES, PH 6.5, 0.02 MOLE INHIBITOR PER MOLE PROENZYME) WERE MIXED WITH AN EQUAL VOLUME OF RESERVOIR BUFFER (14% PEG-6000, 5% SATURATED SODIUM CITRATE, 0.02% SODIUM AZIDE, 0.1 M CACODYLATE, PH 5.8) AND INCUBATED AT 4 DEGREES CENTIGRADE., vapor diffusion - hanging drop, temperature 277K
Resolution 1.90 Å R-free 0.256
1SLN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-702,842 Deposited 1995-08-03 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN RESIDUES 83 - 255
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 8MI N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.54；HANGING DROP VAPOR DIFFUSION. 1.5 MICROLITER DROPS OF ENZYME:INHIBITOR SOLUTION (9 MG/ML ENZYME, 1.5 MILLIMOLAR INHIBITOR, 5.0 MILLIMOLAR CALCIUM CHLORIDE, 0.02% SODIUM AZIDE, 20 MILLIMOLAR TRIS HYDROCHLORIDE, PH 7.5) WERE MIXED WITH AN EQUAL VOLUME OF RESERVOIR BUFFER (10% PEG-6000, 15% SATURATED AMMONIUM ACETATE 0.02% SODIUM AZIDE, 0.1 M CACODYLATE, PH 5.54) AND INCUBATED AT ROOM TEMPERATURE., vapor diffusion - hanging drop
Resolution 2.27 Å R-free 0.299
1UEA MMP-3/TIMP-1 COMPLEX Deposited 1997-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
1UEA MMP-3/TIMP-1 COMPLEX Deposited 1997-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 100–272（173 aa） Fragment：CATALYTIC DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
1UMS STROMELYSIN-1 CATALYTIC DOMAIN WITH HYDROPHOBIC INHIBITOR BOUND, PH 7.0, 32OC, 20 MM CACL2, 15% ACETONITRILE; NMR ENSEMBLE OF 20 STRUCTURES Deposited 1995-10-31 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–273（174 aa） Fragment：CATALYTIC DOMAIN RESIDUES 83 - 256
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 1 0DS N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide × 1 SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1UMT Stromelysin-1 catalytic domain with hydrophobic inhibitor bound, ph 7.0, 32oc, 20 mm cacl2, 15% acetonitrile; nmr average of 20 structures minimized with restraints Deposited 1995-10-31 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–273（174 aa） Fragment：CATALYTIC DOMAIN RESIDUES 83 - 256
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 1 0DS N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide × 1 SOLUTION NMR
NMR measurement conditions pH 7；305 K；Pressure ambient
NMR sample composition 1.0-1.5 mM [U-99% 13C; U-99% 15N] double labeled SCD, 10 mM Tris-d11.HCl, 20 mM CaCl2, 15% acetonitrile-d3, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 0.6 mM [U-99% 13C; U-99% 15N] double labeled SCD, 10 mM Tris-d11.HCl, 20 mM CaCl2, 15% acetonitrile-d3, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 0.6 mM [U-99% 15N] N15 labeled SCD, 10 mM Tris-d11.HCl, 20 mM CaCl2, 15% acetonitrile-d3, 92% H2O/8% D2O | 92% H2O/8% D2O
Resolution not provided
1USN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372 Deposited 1998-06-09 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–264（165 aa） Fragment：CATALYTIC DOMAIN RESIDUES 83 - 247
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 3 IN9 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；HANGING DROP VAPOR DIFFUSION., pH 7.0, vapor diffusion - hanging drop
Resolution 1.80 Å
1USN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372 Deposited 1998-06-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 100–264（165 aa） Fragment：CATALYTIC DOMAIN RESIDUES 83 - 247
Not recorded ZN ZINC ION × 9 CA CALCIUM ION × 9 IN9 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；HANGING DROP VAPOR DIFFUSION., pH 7.0, vapor diffusion - hanging drop
Resolution 1.80 Å
1USN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372 Deposited 1998-06-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–264（165 aa） Fragment：CATALYTIC DOMAIN RESIDUES 83 - 247
Not recorded ZN ZINC ION × 6 CA CALCIUM ION × 6 IN9 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；HANGING DROP VAPOR DIFFUSION., pH 7.0, vapor diffusion - hanging drop
Resolution 1.80 Å
2D1O Stromelysin-1 (MMP-3) complexed to a hydroxamic acid inhibitor Deposited 2005-08-30 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–270（171 aa） Fragment：C-Terminal catalytic domain
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 FA4 SM-25453 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG400, MPD, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.02 Å R-free 0.206
2D1O Stromelysin-1 (MMP-3) complexed to a hydroxamic acid inhibitor Deposited 2005-08-30 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–270（171 aa） Fragment：C-Terminal catalytic domain
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 FA4 SM-25453 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG400, MPD, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.02 Å R-free 0.206
2JNP Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of N-isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH) Deposited 2007-01-30 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 105–265（161 aa） Fragment：residues 88-248
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 2 NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID × 1 SOLUTION NMR
NMR measurement conditions pH 8；298 K；Ionic strength (raw mmCIF value) Tris 0.02, NaCl 3；Pressure ambient
NMR sample composition 1 mM MMP3, 20 mM TRIS, 300 mM sodium chloride, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-98% 13C; U-98% 15N] MMP3, 20 mM TRIS, 300 mM sodium chloride, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-99% 15N] MMP3, 20 mM TRIS, 300 mM sodium chloride, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2JT5 solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of n-hydroxy-2-[n-(2-hydroxyethyl)biphenyl-4-sulfonamide] hydroxamic acid (MLC88) Deposited 2007-07-20 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 105–265（161 aa） Fragment：sequence database residues 105-265
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 2 JT5 N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide × 1 SOLUTION NMR
NMR measurement conditions pH 8；298 K；Ionic strength (raw mmCIF value) 300；Pressure ambient
NMR sample composition 1 mM [U-98% 15N] protein, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2JT6 Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of 3-4'-cyanobyphenyl-4-yloxy)-n-hdydroxypropionamide (MMP-3 inhibitor VII) Deposited 2007-07-23 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 105–265（161 aa） Fragment：sequence database residues 105-265
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 2 JT6 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide × 1 SOLUTION NMR
NMR measurement conditions pH 8；298 K；Ionic strength (raw mmCIF value) 300；Pressure ambient
NMR sample composition 1 mM [U-98% 15N] entity_1, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2SRT CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 AT PH 5.5 AND 40OC COMPLEXED WITH INHIBITOR Deposited 1995-03-22 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa）
Not recorded ZN ZINC ION × 2 8MI N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE × 1 SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2USN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-141803 Deposited 1998-06-09 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–264（165 aa） Fragment：CATALYTIC DOMAIN RESIDUES 83 - 247
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 3 IN8 [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；HANGING DROP VAPOR DIFFUSION., pH 7.0, vapor diffusion - hanging drop
Resolution 2.20 Å
3OHL catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide Deposited 2010-08-17 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–266（167 aa） Fragment：UNP residues 100-266
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 OHL N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 29% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.36 Å R-free 0.283
3OHL catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide Deposited 2010-08-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–266（167 aa） Fragment：UNP residues 100-266
Not recorded CA CALCIUM ION × 6 ZN ZINC ION × 4 OHL N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 29% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.36 Å R-free 0.283
3OHO catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)acetamide Deposited 2010-08-17 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–268（169 aa） Fragment：CATALYTIC DOMAIN (UNP Residues 100-268)
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 Z79 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 26% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.264
3OHO catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)acetamide Deposited 2010-08-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–268（169 aa） Fragment：CATALYTIC DOMAIN (UNP Residues 100-268)
Not recorded CA CALCIUM ION × 6 ZN ZINC ION × 4 Z79 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 26% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.264
3OHO catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)acetamide Deposited 2010-08-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 100–268（169 aa） Fragment：CATALYTIC DOMAIN (UNP Residues 100-268)
Not recorded CA CALCIUM ION × 6 ZN ZINC ION × 4 Z79 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 26% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.264
4DPE Structure of MMP3 complexed with a platinum-based inhibitor. Deposited 2012-02-13 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：unp residues 100-272
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 PT PLATINUM (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.96 Å R-free 0.231
4DPE Structure of MMP3 complexed with a platinum-based inhibitor. Deposited 2012-02-13 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：unp residues 100-272
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 PT PLATINUM (II) ION × 5 CL CHLORIDE ION × 2 NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.96 Å R-free 0.231
4G9L Structure of MMP3 complexed with NNGH inhibitor. Deposited 2012-07-24 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：catalytic domain (unp residues 100-272)
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；293 K；25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 1.88 Å R-free 0.270
4G9L Structure of MMP3 complexed with NNGH inhibitor. Deposited 2012-07-24 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：catalytic domain (unp residues 100-272)
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 3 NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；293 K；25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 1.88 Å R-free 0.270
4JA1 Structure of MMP3 complexed with a platinum-based inhibitor Deposited 2013-02-18 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 100–272（173 aa） Fragment：catalytic domain
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 PT PLATINUM (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Protein 7-15mg/ml, 25-30% (w/v) PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.96 Å R-free 0.244
4JA1 Structure of MMP3 complexed with a platinum-based inhibitor Deposited 2013-02-18 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 100–272（173 aa） Fragment：catalytic domain
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 PT PLATINUM (II) ION × 2 CL CHLORIDE ION × 3 NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Protein 7-15mg/ml, 25-30% (w/v) PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.96 Å R-free 0.244
6MAV Complex of tissue inhibitor of metalloproteinase-1 (TIMP-1) mutant L34G with matrix metalloproteinase-3 catalytic domain (MMP-3cd) Deposited 2018-08-28 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 100–267（168 aa）
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Ammonium Acetate 0.1 M Bis-Tris: HCl, pH 5.5, 17 % (w/v) PEG 10,000
Resolution 2.37 Å R-free 0.298
6N9D Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) Deposited 2018-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 100–264（165 aa）
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Sodium Acetate, 0.1 M Sodium Cacodylate: HCl, pH 6.5 18 % (w/v) PEG 8000
Resolution 2.67 Å R-free 0.258
7S7L Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66S/E67Y/L133N/S155L) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) Deposited 2021-09-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa） Fragment：Catalytic domain (UNP residues 100-272)
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 CL CHLORIDE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；310 K；0.2M ammonium sulfate, 0.1M Bis-Tris pH 6.5, 25% w/v PEG 3350 Anatrace-Microlytic Top96 #65
Resolution 2.34 Å R-free 0.239
7S7M Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66D/T98G/P131S/Q153N) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) Deposited 2021-09-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 100–272（173 aa） Fragment：Catalytic domain (UNP residues 100-272)
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；310 K；0.1 M ammonium acetate, 0.1 M Bis-Tris-HCl, pH 5.5, 17% w/v PEG10000
Resolution 3.00 Å R-free 0.248

43 other PDB entries and 80 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MMP3_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–168； UniProt 100–267

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 3usn

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3usn
Download Download
▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id3usn
Deposition date deposition_date1998-06-18
Structure title titleSTRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE THIADIAZOLE INHIBITOR IPNU-107859, NMR, 1 STRUCTURE
Keywords keywordsHYDROLASE, METALLOPROTEASE; HYDROLASE
Experimental Method methodSOLUTION NMR
▼

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

Radius of gyration Rg (Guinier) rg_guinier16.76 Å
Radius of gyration Rg (electron density) rg_electron15.45 Å
Forward intensity I(0) i07238880.00
Molecular weight molecular_weight19444.0 kDa
Excluded volume excluded_volume24204 ų
Envelope volume envelope_volume28998 ų
Hydration-shell volume shell_volume15545 ų
Envelope diameter envelope_diameter50.6 Å
Shell Rg shell_rg21.63 Å
Envelope Rg envelope_rg15.65 Å
Shape Rg shape_rg15.44 Å
Total Rg total_rg16.61 Å
Total atoms total_atoms2658
Residues n_residues168
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
▼

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

Maximum dimension Dmax dmax55.7 Å
Rg (real space) rg_real16.62 Å
Rg uncertainty (real space) rg_real_error0.36 Å
I(0) (real space) i0_real7.2390e+06
I(0) uncertainty (real space) i0_real_error8.2440e+04
Rg (reciprocal space) rg_reciprocal16.64 Å
I(0) (reciprocal space) i0_reciprocal7239000.0000
Solution quality estimate total_estimate0.6530
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary21.7 Å
Skewness Skewness skewness0.045
Kurtosis Kurtosis kurtosis-0.455
Angular range angular_range— – 0.4750 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1202000.0000
Real-space data points n_real_points78
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.770; Stabil: 0.999; Sysdev: 0.394; Positv: 1.000; Valcen: 0.993; Smooth: 0.000
▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (5)

▼

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd3usna_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.92 — Zincin-like
Superfamily Superfamily superfamilyd.92.1 — Metalloproteases ('zincins'), catalytic domain
Family Family familyd.92.1.11 — Matrix metalloproteases, catalytic domain

CATH v4.4 (1 domains)

Domain ID domain_id3usnA00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology390 — Collagenase (Catalytic Domain)
Homologous superfamily homologous superfamily10 — Collagenase (Catalytic Domain)
▶

8. Citations (1)

▶

9. Files and Curves (10)