Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1HV5

CRYSTAL STRUCTURE OF THE STROMELYSIN-3 (MMP-11) CATALYTIC DOMAIN COMPLEXED WITH A PHOSPHINIC 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
E	0004222	molecular_function	metalloendopeptidase activity
E	0006508	biological_process	proteolysis
E	0008237	molecular_function	metallopeptidase activity
E	0008270	molecular_function	zinc ion binding
E	0031012	cellular_component	extracellular matrix
F	0004222	molecular_function	metalloendopeptidase activity
F	0006508	biological_process	proteolysis
F	0008237	molecular_function	metallopeptidase activity
F	0008270	molecular_function	zinc ion binding
F	0031012	cellular_component	extracellular matrix

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 5501

Chain	Residue
A	HIS168
A	ASP170
A	HIS183
A	HIS196

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 5502

Chain	Residue
A	HIS219
A	HIS223
A	HIS229
A	RXP6001

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 5503

Chain	Residue
A	GLY176
A	GLY178
A	ILE180
A	ASP198
A	GLU201
A	ASP175

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 5504

Chain	Residue
B	HIS168
B	ASP170
B	HIS183
B	HIS196

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 5505

Chain	Residue
B	HIS219
B	HIS223
B	HIS229
B	RXP6002
B	HOH6300

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 5506

Chain	Residue
B	ASP175
B	GLY176
B	GLY178
B	ILE180
B	ASP198
B	GLU201

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 5507

Chain	Residue
C	HIS168
C	ASP170
C	HIS183
C	HIS196

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 5508

Chain	Residue
C	HIS219
C	HIS223
C	HIS229
C	RXP6003

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 5509

Chain	Residue
C	ASP175
C	GLY176
C	GLY178
C	ILE180
C	ASP198
C	GLU201

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN D 5510

Chain	Residue
D	HIS168
D	ASP170
D	HIS183
D	HIS196
D	HOH1632

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 5511

Chain	Residue
D	HIS219
D	HIS223
D	HIS229
D	RXP6004

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 5512

Chain	Residue
D	ASP175
D	GLY176
D	GLY178
D	ILE180
D	ASP198
D	GLU201

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 5513

Chain	Residue
E	HIS168
E	ASP170
E	HIS183
E	HIS196

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 5514

Chain	Residue
E	HIS219
E	HIS223
E	HIS229
E	RXP6005

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 5515

Chain	Residue
E	ASP175
E	GLY176
E	GLY178
E	ILE180
E	ASP198
E	GLU201

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 5516

Chain	Residue
F	HIS168
F	ASP170
F	HIS183
F	HIS196

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 5517

Chain	Residue
F	HIS219
F	HIS223
F	HIS229
F	RXP6006

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA F 5518

Chain	Residue
F	ASP175
F	GLY176
F	GLY178
F	ILE180
F	ASP198
F	GLU201

site_id	CC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CPS A 5001

Chain	Residue
A	HIS223
A	GLN228
A	HIS229
A	RXP6001
A	HOH6033
A	HOH6081
A	HOH6149
A	HOH6374

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CPS B 5002

Chain	Residue
B	HOH6208
B	HOH6300
B	HIS223
B	GLN228
B	HIS229
B	RXP6002
B	HOH6095

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CPS C 5003

Chain	Residue
B	TRP167
C	GLN228
C	HIS229
C	RXP6003
C	HOH6155
C	HOH6356

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CPS D 5004

Chain	Residue
D	HIS223
D	GLN228
D	HIS229
D	HOH757
D	HOH1050
D	HOH1126

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CPS E 5005

Chain	Residue
E	HIS223
E	GLN228
E	HIS229
E	RXP6005
E	HOH6108
E	HOH6137

site_id	CC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CPS A 5006

Chain	Residue
A	LEU147
A	PHE186
A	ARG191
A	GLU192
A	VAL224
A	HOH6186
A	HOH6217
A	HOH6242

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CPS B 5007

Chain	Residue
B	LYS111
B	ASP158
B	PHE186
B	GLU192
B	VAL224
B	GLY226
B	TYR261
B	HOH6134

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CPS C 5008

Chain	Residue
C	PHE186
C	ARG191
C	GLU192
C	VAL224
C	TYR261
C	HOH6151

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CPS D 5009

Chain	Residue
D	PHE186
D	ARG191
D	TYR261
D	HOH689
D	HOH839

site_id	DC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CPS E 5010

Chain	Residue
E	ASP158
E	GLU192
E	GLY193
E	VAL224
E	LEU225
E	GLY226
E	TYR261
E	HOH6059
E	HOH6161
E	HOH6320

site_id	DC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE CPS F 5011

Chain	Residue
F	LEU114
F	ASP158
F	PHE186
F	VAL224
F	LEU225
F	TYR261
F	HOH561
F	HOH1455
F	HOH1776

site_id	DC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE CPS F 5091

Chain	Residue
C	TRP167
D	HOH2044
F	HIS223
F	GLN228
F	HIS229
F	PHE240
F	HOH491
F	HOH492
F	HOH493
F	HOH571
F	HOH588
F	HOH616
F	HOH743
F	HOH816
F	HOH1100
F	HOH1237
F	HOH1260
F	HOH1547
F	HOH1762
F	HOH1816
F	RXP6006

site_id	DC4
Number of Residues	23
Details	BINDING SITE FOR RESIDUE RXP A 6001

Chain	Residue
A	LEU172
A	GLY179
A	ILE180
A	LEU181
A	ALA182
A	ALA184
A	GLN215
A	VAL216
A	HIS219
A	GLU220
A	HIS223
A	HIS229
A	SER238
A	PRO239
A	PHE240
A	TYR241
A	CPS5001
A	ZN5502
A	HOH6035
A	HOH6041
A	HOH6148
A	HOH6149
A	HOH6301

site_id	DC5
Number of Residues	21
Details	BINDING SITE FOR RESIDUE RXP B 6002

Chain	Residue
B	LEU172
B	GLY179
B	ILE180
B	LEU181
B	ALA182
B	ALA184
B	GLN215
B	HIS219
B	GLU220
B	HIS223
B	HIS229
B	LEU236
B	SER238
B	PRO239
B	PHE240
B	TYR241
B	CPS5002
B	ZN5505
B	HOH6103
B	HOH6113
B	HOH6300

site_id	DC6
Number of Residues	20
Details	BINDING SITE FOR RESIDUE RXP C 6003

Chain	Residue
C	GLY179
C	ILE180
C	LEU181
C	ALA182
C	ALA184
C	GLN215
C	HIS219
C	GLU220
C	HIS223
C	HIS229
C	LEU236
C	SER238
C	PRO239
C	PHE240
C	TYR241
C	CPS5003
C	ZN5508
C	HOH6050
C	HOH6155
C	HOH6254

site_id	DC7
Number of Residues	21
Details	BINDING SITE FOR RESIDUE RXP D 6004

Chain	Residue
D	GLY179
D	ILE180
D	LEU181
D	ALA182
D	ALA184
D	GLN215
D	HIS219
D	GLU220
D	HIS223
D	HIS229
D	LEU236
D	SER238
D	PRO239
D	PHE240
D	TYR241
D	HOH488
D	HOH685
D	HOH686
D	HOH757
D	HOH837
D	ZN5511

site_id	DC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE RXP E 6005

Chain	Residue
E	GLY179
E	ILE180
E	LEU181
E	ALA182
E	ALA184
E	GLN215
E	HIS219
E	GLU220
E	HIS223
E	HIS229
E	LEU236
E	SER238
E	PRO239
E	PHE240
E	TYR241
E	CPS5005
E	ZN5514
E	HOH6013
E	HOH6088
E	HOH6089
E	HOH6090
E	HOH6108
E	HOH6218
E	HOH6342

site_id	DC9
Number of Residues	19
Details	BINDING SITE FOR RESIDUE RXP F 6006

Chain	Residue
D	HOH995
F	LEU172
F	GLY179
F	ILE180
F	LEU181
F	ALA182
F	ALA184
F	HIS219
F	GLU220
F	HIS229
F	LEU236
F	SER238
F	PRO239
F	PHE240
F	TYR241
F	HOH498
F	HOH1044
F	CPS5091
F	ZN5517

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL216-LEU225

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE:

Chain	Residue	Details
A	GLU220
B	GLU220
C	GLU220
D	GLU220
E	GLU220
F	GLU220

site_id	SWS_FT_FI2
Number of Residues	66
Details	BINDING:

Chain	Residue	Details
A	HIS168
A	HIS223
A	HIS229
B	HIS168
B	ASP170
B	ASP175
B	GLY176
B	GLY178
B	ILE180
B	HIS183
B	HIS196
A	ASP170
B	HIS219
B	HIS223
B	HIS229
C	HIS168
C	ASP170
C	ASP175
C	GLY176
C	GLY178
C	ILE180
C	HIS183
A	ASP175
C	HIS196
C	HIS219
C	HIS223
C	HIS229
D	HIS168
D	ASP170
D	ASP175
D	GLY176
D	GLY178
D	ILE180
A	GLY176
D	HIS183
D	HIS196
D	HIS219
D	HIS223
D	HIS229
E	HIS168
E	ASP170
E	ASP175
E	GLY176
E	GLY178
A	GLY178
E	ILE180
E	HIS183
E	HIS196
E	HIS219
E	HIS223
E	HIS229
F	HIS168
F	ASP170
F	ASP175
F	GLY176
A	ILE180
F	GLY178
F	ILE180
F	HIS183
F	HIS196
F	HIS219
F	HIS223
F	HIS229
A	HIS183
A	HIS196
A	HIS219

Catalytic Information from CSA

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

Chain	Residue	Details
A	MET237
A	GLU220

site_id	CSA10
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
D	GLU220

site_id	CSA11
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
E	GLU220

site_id	CSA12
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
F	GLU220

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

Chain	Residue	Details
B	MET237
B	GLU220

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

Chain	Residue	Details
C	MET237
C	GLU220

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
D	MET237
D	GLU220

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
E	MET237
E	GLU220

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
F	MET237
F	GLU220

site_id	CSA7
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
A	GLU220

site_id	CSA8
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
B	GLU220

site_id	CSA9
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
C	GLU220

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