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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1G4K

X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004222	molecular_function	metalloendopeptidase activity
A	0006508	biological_process	proteolysis
A	0008237	molecular_function	metallopeptidase activity
A	0008270	molecular_function	zinc ion binding
A	0031012	cellular_component	extracellular matrix
B	0004222	molecular_function	metalloendopeptidase activity
B	0006508	biological_process	proteolysis
B	0008237	molecular_function	metallopeptidase activity
B	0008270	molecular_function	zinc ion binding
B	0031012	cellular_component	extracellular matrix
C	0004222	molecular_function	metalloendopeptidase activity
C	0006508	biological_process	proteolysis
C	0008237	molecular_function	metallopeptidase activity
C	0008270	molecular_function	zinc ion binding
C	0031012	cellular_component	extracellular matrix

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 301

Chain	Residue
A	HIS201
A	HIS205
A	HIS211
A	HQQ306

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 302

Chain	Residue
A	HIS151
A	ASP153
A	HIS166
A	HIS179

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 303

Chain	Residue
A	ASP158
A	GLY159
A	GLY161
A	VAL163
A	ASP181
A	GLU184

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 304

Chain	Residue
A	ASP141
A	GLY173
A	ASN175
A	ASP177
A	HOH312
A	HOH321

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA A 305

Chain	Residue
A	ASP107
A	ASP182
A	GLU184

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 301

Chain	Residue
B	HIS201
B	HIS205
B	HIS211
B	HQQ306

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 302

Chain	Residue
B	HIS179
B	HIS151
B	ASP153
B	HIS166

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 303

Chain	Residue
B	ASP158
B	GLY159
B	GLY161
B	VAL163
B	ASP181
B	GLU184

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 304

Chain	Residue
B	ASP141
B	GLY173
B	ASN175
B	ASP177
B	HOH314
B	HOH336

site_id	AD1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 307

Chain	Residue
B	GLU216
B	LEU218
B	HIS224
B	PHE232
B	ARG233
B	LEU234
B	HOH342

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA B 305

Chain	Residue
B	ASP107
B	ASP182
B	GLU184

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 301

Chain	Residue
C	HIS201
C	HIS205
C	HIS211
C	HQQ306

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 302

Chain	Residue
C	HIS151
C	ASP153
C	HIS166
C	HIS179

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 303

Chain	Residue
C	ASP158
C	GLY159
C	GLY161
C	VAL163
C	ASP181
C	GLU184

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 304

Chain	Residue
C	ASP141
C	GLY173
C	ASN175
C	ASP177
C	HOH313
C	HOH322

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA C 305

Chain	Residue
C	ASP107
C	ASP182
C	GLU184

site_id	BC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HQQ B 306

Chain	Residue
A	ASN240
B	VAL163
B	LEU164
B	ALA165
B	HIS201
B	GLU202
B	HIS205
B	HIS211
B	LEU218
B	TYR220
B	PRO221
B	LEU222
B	TYR223
B	HIS224
B	ZN301
B	HOH311

site_id	BC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HQQ A 306

Chain	Residue
A	LEU164
A	ALA165
A	HIS201
A	GLU202
A	HIS205
A	HIS211
A	LEU218
A	TYR220
A	PRO221
A	TYR223
A	HIS224
A	ZN301
A	HOH313

site_id	BC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HQQ C 306

Chain	Residue
C	VAL163
C	LEU164
C	ALA165
C	HIS201
C	GLU202
C	HIS205
C	HIS211
C	LEU218
C	TYR220
C	PRO221
C	LEU222
C	TYR223
C	HIS224
C	ZN301

site_id	CA1
Number of Residues	6
Details	CA1 ARE THE LIGANDS OF THE CALCIUM ION CA A 303

Chain	Residue
A	ASP158
A	GLY159
A	GLY161
A	VAL163
A	ASP181
A	GLU184

site_id	CA2
Number of Residues	6
Details	CA2 ARE THE LIGANDS OF THE CALCIUM ION CA A 304

Chain	Residue
A	ASP141
A	GLY173
A	ASN175
A	ASP177
A	HOH312
A	HOH321

site_id	CA3
Number of Residues	3
Details	CA2 ARE THE LIGANDS OF THE CALCIUM ION CA A 305

Chain	Residue
A	ASP107
A	ASP182
A	GLU184

site_id	CB1
Number of Residues	6
Details	CA1 ARE THE LIGANDS OF THE CALCIUM ION CA B 303

Chain	Residue
B	ASP158
B	GLY159
B	GLY161
B	VAL163
B	ASP181
B	GLU184

site_id	CB2
Number of Residues	6
Details	CA2 ARE THE LIGANDS OF THE CALCIUM ION CA B 304

Chain	Residue
B	ASP141
B	GLY173
B	ASN175
B	ASP177
B	HOH314
B	HOH336

site_id	CB3
Number of Residues	3
Details	CA2 ARE THE LIGANDS OF THE CALCIUM ION CA B 305

Chain	Residue
B	ASP107
B	ASP182
B	GLU184

site_id	CC1
Number of Residues	6
Details	CA1 ARE THE LIGANDS OF THE CALCIUM ION CA C 303

Chain	Residue
C	ASP158
C	GLY159
C	GLY161
C	VAL163
C	ASP181
C	GLU184

site_id	CC2
Number of Residues	6
Details	CA2 ARE THE LIGANDS OF THE CALCIUM ION CA C 304

Chain	Residue
C	ASP141
C	GLY173
C	ASN175
C	ASP177
C	HOH313
C	HOH322

site_id	CC3
Number of Residues	3
Details	CA2 ARE THE LIGANDS OF THE CALCIUM ION CA C 305

Chain	Residue
C	ASP107
C	ASP182
C	GLU184

site_id	ZA1
Number of Residues	4
Details	ZN1 ARE THE LIGANDS OF THE CATALYTIC (ZN A 301) ZINC ION.

Chain	Residue
A	HQQ306
A	HIS201
A	HIS205
A	HIS211

site_id	ZA2
Number of Residues	4
Details	ZN2 ARE THE LIGANDS OF THE STRUCTURAL (ZN A 302) ZINC ION.

Chain	Residue
A	HIS151
A	ASP153
A	HIS166
A	HIS179

site_id	ZB1
Number of Residues	4
Details	ZN1 ARE THE LIGANDS OF THE CATALYTIC (ZN B 301) ZINC ION.

Chain	Residue
B	HIS201
B	HIS205
B	HIS211
B	HQQ306

site_id	ZB2
Number of Residues	4
Details	ZN2 ARE THE LIGANDS OF THE STRUCTURAL (ZN B 302) ZINC ION.

Chain	Residue
B	HIS151
B	ASP153
B	HIS166
B	HIS179

site_id	ZC1
Number of Residues	4
Details	ZN1 ARE THE LIGANDS OF THE CATALYTIC (ZN C 301) ZINC ION.

Chain	Residue
C	HQQ306
C	HIS201
C	HIS205
C	HIS211

site_id	ZC2
Number of Residues	4
Details	ZN2 ARE THE LIGANDS OF THE STRUCTURAL (ZN C 302) ZINC ION.

Chain	Residue
C	HIS151
C	ASP153
C	HIS166
C	HIS179

Functional Information from PROSITE/UniProt

site_id	PS00142
Number of Residues	10
Details	ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VAAHEIGHSL

Chain	Residue	Details
A	VAL198-LEU207

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Active site: {}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	48
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PubMed","id":"8740360","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
A	MET219
A	GLU202

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
B	MET219
B	GLU202

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
C	MET219
C	GLU202

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
A	GLU202

site_id	CSA5
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
B	GLU202

site_id	CSA6
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
C	GLU202

site_id	MCSA1
Number of Residues	4
Details	M-CSA 591

Chain	Residue	Details
A	HIS201	metal ligand
A	GLU202	proton acceptor, proton donor
A	HIS205	metal ligand
A	HIS211	metal ligand

site_id	MCSA2
Number of Residues	4
Details	M-CSA 591

Chain	Residue	Details
B	HIS201	metal ligand
B	GLU202	proton acceptor, proton donor
B	HIS205	metal ligand
B	HIS211	metal ligand

site_id	MCSA3
Number of Residues	4
Details	M-CSA 591

Chain	Residue	Details
C	HIS201	metal ligand
C	GLU202	proton acceptor, proton donor
C	HIS205	metal ligand
C	HIS211	metal ligand

239149

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