Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2PJT

Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344

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	3
Details	BINDING SITE FOR RESIDUE ZN B 302

Chain	Residue
B	HIS197
B	HIS201
B	HIS207

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 303

Chain	Residue
B	HIS147
B	ASP149
B	HIS162
B	HIS175

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 304

Chain	Residue
B	SER157
B	LEU159
B	ASP177
B	GLU180
B	ASP154
B	GLY155

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B 305

Chain	Residue
B	ASP137
B	ASN169
B	TYR170
B	GLY171
B	ASP173

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN A 302

Chain	Residue
A	HIS197
A	HIS201
A	HIS207

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 303

Chain	Residue
A	HIS147
A	ASP149
A	HIS162
A	HIS175

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 304

Chain	Residue
A	ASP154
A	GLY155
A	SER157
A	LEU159
A	ASP177
A	GLU180

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 305

Chain	Residue
A	ASP137
A	ASN169
A	GLY171
A	ASP173

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN C 302

Chain	Residue
C	HIS197
C	HIS201
C	HIS207

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 303

Chain	Residue
C	HIS147
C	ASP149
C	HIS162
C	HIS175

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 304

Chain	Residue
C	ASP154
C	GLY155
C	SER157
C	LEU159
C	ASP177
C	GLU180

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA C 305

Chain	Residue
C	ASP137
C	ASN169
C	TYR170
C	GLY171
C	ASP173

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN D 302

Chain	Residue
D	HIS197
D	HIS201
D	HIS207

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 303

Chain	Residue
D	HIS147
D	ASP149
D	HIS162
D	HIS175

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 304

Chain	Residue
D	ASP154
D	GLY155
D	SER157
D	LEU159
D	ASP177
D	GLU180

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA D 305

Chain	Residue
D	ASP137
D	ASN169
D	TYR170
D	GLY171
D	ASP173

site_id	BC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 347 A 401

Chain	Residue
A	GLY158
A	LEU160
A	ALA161
A	HIS197
A	GLU198
A	HIS201
A	HIS207
A	PRO217
A	TYR219
A	THR220
B	PRO168
B	ASN169

site_id	BC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 347 B 401

Chain	Residue
B	LEU160
B	ALA161
B	LEU193
B	HIS197
B	GLU198
B	HIS201
B	HIS207
B	PRO217
B	TYR219
B	THR220

site_id	CC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 347 C 401

Chain	Residue
C	HIS207
C	PRO217
C	ILE218
C	TYR219
C	THR220
C	LEU160
C	ALA161
C	HIS162
C	HIS197
C	GLU198
C	HIS201

site_id	CC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 347 D 401

Chain	Residue
C	PRO168
C	ASN169
D	GLY158
D	LEU159
D	LEU160
D	ALA161
D	HIS162
D	HIS197
D	GLU198
D	HIS201
D	HIS207
D	PRO217
D	ILE218
D	TYR219
D	THR220

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	VAL194-LEU203

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	GLU198
B	GLU198
C	GLU198
D	GLU198

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	ASP103
A	ASP177
A	ASP178
A	GLU180
B	ASP103
B	ASP137
B	ASP154
B	GLY155
B	SER157
B	LEU159
B	ASN169
A	ASP137
B	GLY171
B	ASP173
B	ASP177
B	ASP178
B	GLU180
C	ASP103
C	ASP137
C	ASP154
C	GLY155
C	SER157
A	ASP154
C	LEU159
C	ASN169
C	GLY171
C	ASP173
C	ASP177
C	ASP178
C	GLU180
D	ASP103
D	ASP137
D	ASP154
A	GLY155
D	GLY155
D	SER157
D	LEU159
D	ASN169
D	GLY171
D	ASP173
D	ASP177
D	ASP178
D	GLU180
A	SER157
A	LEU159
A	ASN169
A	GLY171
A	ASP173

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	HIS147
B	ASP149
B	HIS162
B	HIS175
B	HIS197
B	HIS201
B	HIS207
B	MET215
C	HIS147
C	ASP149
C	HIS162
A	ASP149
C	HIS175
C	HIS197
C	HIS201
C	HIS207
C	MET215
D	HIS147
D	ASP149
D	HIS162
D	HIS175
D	HIS197
A	HIS162
D	HIS201
D	HIS207
D	MET215
A	HIS175
A	HIS197
A	HIS201
A	HIS207
A	MET215
B	HIS147

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

Chain	Residue	Details
A	ASN92
B	ASN92
C	ASN92
D	ASN92

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

Chain	Residue	Details
A	ASN127
B	ASN127
C	ASN127
D	ASN127

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)