Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3O2X

MMP-13 in complex with selective tetrazole core inhibitor

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
D	0004222	molecular_function	metalloendopeptidase activity
D	0006508	biological_process	proteolysis
D	0008237	molecular_function	metallopeptidase activity
D	0008270	molecular_function	zinc ion binding
D	0031012	cellular_component	extracellular matrix

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 3O2 A 1801

Chain	Residue
A	HOH26
A	HIS1222
A	GLU1223
A	HIS1226
A	HIS1232
A	LEU1239
A	PHE1241
A	PRO1242
A	ILE1243
A	THR1245
A	TYR1246
A	EPE400
A	MET1253
A	ZN1999
A	HOH424
A	HOH604
A	HOH829
A	LEU1184
A	LEU1185
A	ALA1186
A	LEU1218

site_id	AC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE 3O2 B 1801

Chain	Residue
B	HOH41
B	EPE400
B	HOH453
B	HOH609
B	HOH892
B	HOH894
B	LEU2185
B	ALA2186
B	HIS2222
B	GLU2223
B	HIS2226
B	HIS2232
B	LEU2239
B	PHE2241
B	PRO2242
B	TYR2244
B	THR2245
B	GLY2248
B	HIS2251
B	PHE2252
B	MET2253
B	ZN2999

site_id	AC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 3O2 C 1801

Chain	Residue
C	HOH46
C	HOH267
C	HOH464
C	GLY1183
C	LEU1185
C	ALA1186
C	LEU1218
C	HIS1222
C	GLU1223
C	HIS1226
C	HIS1232
C	LEU1239
C	PHE1241
C	PRO1242
C	ILE1243
C	TYR1244
C	THR1245
C	HIS1251
C	PHE1252
C	MET1253
C	ZN1999

site_id	AC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 3O2 D 1801

Chain	Residue
D	HOH86
D	HOH338
D	HOH837
D	GLY2183
D	LEU2185
D	ALA2186
D	HIS2222
D	GLU2223
D	HIS2226
D	HIS2232
D	ALA2238
D	LEU2239
D	PHE2241
D	PRO2242
D	ILE2243
D	TYR2244
D	THR2245
D	GLY2248
D	PHE2252
D	MET2253
D	ZN2999

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1998

Chain	Residue
A	HIS1172
A	ASP1174
A	HIS1187
A	HIS1200

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1999

Chain	Residue
A	HIS1222
A	HIS1226
A	HIS1232
A	3O21801

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 1996

Chain	Residue
A	ASP1198
A	HOH167
A	HOH479
A	ALA1161
A	ASP1162
A	ASN1194
A	GLY1196

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 1997

Chain	Residue
A	ASP1179
A	GLY1180
A	SER1182
A	LEU1184
A	ASP1202
A	GLU1205

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 2998

Chain	Residue
B	HIS2172
B	ASP2174
B	HIS2187
B	HIS2200

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 2999

Chain	Residue
B	3O21801
B	HIS2222
B	HIS2226
B	HIS2232

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B 2996

Chain	Residue
B	HOH435
B	ASP2162
B	ASN2194
B	GLY2196
B	ASP2198

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 2997

Chain	Residue
B	ASP2179
B	GLY2180
B	SER2182
B	LEU2184
B	ASP2202
B	GLU2205

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 1998

Chain	Residue
C	HIS1172
C	ASP1174
C	HIS1187
C	HIS1200

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 1999

Chain	Residue
C	HIS1222
C	HIS1226
C	HIS1232
C	3O21801

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 1996

Chain	Residue
C	HOH185
C	HOH256
C	ASP1162
C	ASN1194
C	GLY1196
C	ASP1198

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 1997

Chain	Residue
C	ASP1179
C	GLY1180
C	SER1182
C	LEU1184
C	ASP1202
C	GLU1205

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 2998

Chain	Residue
D	HIS2172
D	ASP2174
D	HIS2187
D	HIS2200

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 2999

Chain	Residue
D	3O21801
D	HIS2222
D	HIS2226
D	HIS2232

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA D 2996

Chain	Residue
D	HOH62
D	ASP2162
D	ASN2194
D	GLY2196
D	ASP2198

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 2997

Chain	Residue
D	ASP2179
D	GLY2180
D	SER2182
D	LEU2184
D	ASP2202
D	GLU2205

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 1

Chain	Residue
C	HOH111
C	HOH533
C	TYR1120
C	LYS1139
C	ARG1155

site_id	CC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 2

Chain	Residue
A	HOH134
A	HOH136
A	HOH192
A	HOH721
A	HOH826
A	TYR1120
A	LYS1139
A	ARG1155

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 3

Chain	Residue
B	HOH36
B	HOH188
B	THR2130
B	HIS2131
D	THR2130
D	HIS2131

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 4

Chain	Residue
B	HOH291
B	TYR2120
B	LYS2136
B	LYS2139
B	ARG2155

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 5

Chain	Residue
D	HOH76
D	HOH774
D	TYR2120
D	LYS2139
D	ARG2155

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 6

Chain	Residue
B	HOH912
B	LYS2115
B	MET2116
B	ASN2117

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 7

Chain	Residue
A	LYS1115
A	MET1116
A	ASN1117

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 8

Chain	Residue
C	HOH880
D	HOH843
D	HOH903
D	LYS2115
D	MET2116
D	ASN2117

site_id	DC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 9

Chain	Residue
A	HOH131
A	HOH659
A	HOH841
A	THR1130
A	HIS1131
C	HOH199
C	THR1130
C	HIS1131

site_id	DC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EPE A 400

Chain	Residue
A	HOH232
A	HOH259
A	HOH383
A	HIS1187
A	ALA1188
A	PHE1189
A	3O21801
D	ASN2194

site_id	DC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EPE B 400

Chain	Residue
B	HOH455
B	HOH589
B	3O21801
B	TYR2176
B	LEU2184
B	HIS2187
B	ALA2188
B	PHE2189
C	ASN1194

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL1219-LEU1228

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000305\|PubMed:23913860

Chain	Residue	Details
A	GLU1223
B	GLU2223
C	GLU1223
D	GLU2223

site_id	SWS_FT_FI2
Number of Residues	48
Details	BINDING: BINDING => ECO:0000269\|PubMed:10926524, ECO:0000269\|PubMed:10986126, ECO:0000269\|PubMed:15734645, ECO:0000269\|PubMed:15780611, ECO:0000269\|PubMed:17196980, ECO:0000269\|PubMed:17623656, ECO:0000269\|PubMed:19422229, ECO:0000269\|PubMed:20005097, ECO:0000269\|PubMed:20726512, ECO:0000269\|PubMed:22689580, ECO:0000269\|PubMed:23810497, ECO:0000269\|PubMed:23913860, ECO:0000269\|PubMed:8969305

Chain	Residue	Details
A	ASP1128
A	ASP1202
A	ASP1203
A	GLU1205
B	ASP2128
B	ASP2162
B	ASP2179
B	GLY2180
B	SER2182
B	LEU2184
B	ASN2194
A	ASP1162
B	GLY2196
B	ASP2198
B	ASP2202
B	ASP2203
B	GLU2205
C	ASP1128
C	ASP1162
C	ASP1179
C	GLY1180
C	SER1182
A	ASP1179
C	LEU1184
C	ASN1194
C	GLY1196
C	ASP1198
C	ASP1202
C	ASP1203
C	GLU1205
D	ASP2128
D	ASP2162
D	ASP2179
A	GLY1180
D	GLY2180
D	SER2182
D	LEU2184
D	ASN2194
D	GLY2196
D	ASP2198
D	ASP2202
D	ASP2203
D	GLU2205
A	SER1182
A	LEU1184
A	ASN1194
A	GLY1196
A	ASP1198

site_id	SWS_FT_FI3
Number of Residues	32
Details	BINDING: BINDING => ECO:0000269\|PubMed:10926524, ECO:0000269\|PubMed:10986126, ECO:0000269\|PubMed:15734645, ECO:0000269\|PubMed:15780611, ECO:0000269\|PubMed:17196980, ECO:0000269\|PubMed:17623656, ECO:0000269\|PubMed:19422229, ECO:0000269\|PubMed:20005097, ECO:0000269\|PubMed:20726512, ECO:0000269\|PubMed:22689580, ECO:0000269\|PubMed:23810497, ECO:0000269\|PubMed:23913860

Chain	Residue	Details
A	HIS1172
B	ASP2174
B	HIS2187
B	HIS2200
B	HIS2222
B	HIS2226
B	HIS2232
B	MET2240
C	HIS1172
C	ASP1174
C	HIS1187
A	ASP1174
C	HIS1200
C	HIS1222
C	HIS1226
C	HIS1232
C	MET1240
D	HIS2172
D	ASP2174
D	HIS2187
D	HIS2200
D	HIS2222
A	HIS1187
D	HIS2226
D	HIS2232
D	MET2240
A	HIS1200
A	HIS1222
A	HIS1226
A	HIS1232
A	MET1240
B	HIS2172

site_id	SWS_FT_FI4
Number of Residues	4
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269\|PubMed:8576151

Chain	Residue	Details
A	ASN1117
B	ASN2117
C	ASN1117
D	ASN2117

site_id	SWS_FT_FI5
Number of Residues	4
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN1152
B	ASN2152
C	ASN1152
D	ASN2152

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)