Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4H82

Crystal structure of mutant MMP-9 catalytic domain in complex with a twin 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	4
Details	BINDING SITE FOR RESIDUE ZN A 301

Chain	Residue
A	HIS226
A	HIS230
A	HIS236
A	L29306

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

Chain	Residue
A	HIS175
A	ASP177
A	HIS190
A	HIS203

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

Chain	Residue
A	GLY197
A	GLN199
A	ASP201
A	HOH439
A	HOH462
A	ASP165

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

Chain	Residue
A	ASP182
A	GLY183
A	ASP185
A	LEU187
A	ASP205
A	GLU208

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 305

Chain	Residue
A	ASP131
A	ASP206
A	GLU208
A	HOH428

site_id	AC6
Number of Residues	36
Details	BINDING SITE FOR RESIDUE L29 A 306

Chain	Residue
A	GLY186
A	LEU187
A	LEU188
A	ALA189
A	HIS190
A	LEU222
A	HIS226
A	GLN227
A	HIS230
A	HIS236
A	LEU243
A	TYR245
A	PRO246
A	MET247
A	TYR248
A	ZN301
A	HOH427
A	HOH470
A	HOH494
A	HOH565
B	GLY186
B	LEU187
B	LEU188
B	ALA189
B	HIS190
B	LEU222
B	HIS226
B	GLN227
B	HIS230
B	HIS236
B	LEU243
B	TYR245
B	PRO246
B	MET247
B	ZN300
B	HOH401

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 300

Chain	Residue
A	L29306
B	HIS226
B	HIS230
B	HIS236

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 301

Chain	Residue
B	HIS175
B	ASP177
B	HIS190
B	HIS203

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 302

Chain	Residue
B	ASP165
B	GLY197
B	GLN199
B	ASP201
B	HOH437
B	HOH567

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 303

Chain	Residue
B	ASP182
B	GLY183
B	ASP185
B	LEU187
B	ASP205
B	GLU208

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 304

Chain	Residue
B	ASP131
B	ASP206
B	GLU208
B	HOH419

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 301

Chain	Residue
C	HIS226
C	HIS230
C	HIS236
D	L29303

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 302

Chain	Residue
C	HIS175
C	ASP177
C	HIS190
C	HIS203

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 303

Chain	Residue
C	ASP165
C	GLY197
C	GLN199
C	ASP201
C	HOH415
C	HOH447

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

Chain	Residue
C	GLY183
C	ASP185
C	LEU187
C	ASP205
C	GLU208
C	ASP182

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

Chain	Residue
C	SER129
C	ASP131
C	ASP206
C	GLU208
C	TRP210

site_id	BC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PEG C 306

Chain	Residue
C	HOH553

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PEG C 307

Chain	Residue
C	ASP177
C	GLY178
C	TYR179
C	HOH430
C	HOH431
C	HOH486

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PPI C 308

Chain	Residue
C	HOH414
C	HOH487
C	HOH533
C	HOH534

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEG C 309

Chain	Residue
C	SER238
C	VAL239
C	PRO240
C	HOH421
D	HOH406

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG C 310

Chain	Residue
C	LYS214
D	ASP139
D	PEG309

site_id	CC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PEG C 311

Chain	Residue
C	HOH475

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 312

Chain	Residue
C	LYS214
C	PHE250
C	HOH515
C	HOH526

site_id	CC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PEG C 313

Chain	Residue
C	HIS236
C	SER237
C	ASP259
C	HOH405
C	HOH506
C	HOH507
C	HOH508
C	HOH509
C	HOH533

site_id	CC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PGO D 301

Chain	Residue
C	ASP185
C	HOH453
D	TYR248
D	ARG249
D	HOH409
D	HOH546
D	HOH558

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 302

Chain	Residue
D	HIS175
D	ASP177
D	HIS190
D	HIS203

site_id	CC9
Number of Residues	33
Details	BINDING SITE FOR RESIDUE L29 D 303

Chain	Residue
C	LEU187
C	LEU188
C	ALA189
C	LEU222
C	VAL223
C	HIS226
C	GLN227
C	HIS230
C	HIS236
C	LEU243
C	TYR245
C	PRO246
C	MET247
C	TYR248
C	ZN301
D	GLY186
D	LEU187
D	LEU188
D	ALA189
D	LEU222
D	VAL223
D	HIS226
D	GLN227
D	HIS230
D	HIS236
D	LEU243
D	TYR245
D	PRO246
D	TYR248
D	ZN304
D	HOH401
D	HOH402
D	HOH405

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 304

Chain	Residue
D	HIS226
D	HIS230
D	HIS236
D	L29303

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 305

Chain	Residue
D	ASP182
D	GLY183
D	ASP185
D	LEU187
D	ASP205
D	GLU208

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA D 306

Chain	Residue
D	ASP131
D	ASP206
D	GLU208

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 307

Chain	Residue
D	ASP165
D	GLY197
D	GLN199
D	ASP201
D	HOH422
D	HOH423

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGO D 308

Chain	Residue
D	PHE221
D	PRO254
D	PRO255
D	HOH433

site_id	DC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEG D 309

Chain	Residue
C	PEG310
D	HOH520

site_id	DC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGO D 310

Chain	Residue
D	GLY215
D	GLY217
D	HOH474
D	HOH558

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000269\|PubMed:12051944

Chain	Residue	Details
A	GLN227
B	GLN227
C	GLN227
D	GLN227

site_id	SWS_FT_FI2
Number of Residues	48
Details	BINDING: BINDING => ECO:0000269\|PubMed:12051944

Chain	Residue	Details
A	ASP131
A	ASP205
A	ASP206
A	GLU208
B	ASP131
B	ASP165
B	ASP182
B	GLY183
B	ASP185
B	LEU187
B	GLY197
A	ASP165
B	GLN199
B	ASP201
B	ASP205
B	ASP206
B	GLU208
C	ASP131
C	ASP165
C	ASP182
C	GLY183
C	ASP185
A	ASP182
C	LEU187
C	GLY197
C	GLN199
C	ASP201
C	ASP205
C	ASP206
C	GLU208
D	ASP131
D	ASP165
D	ASP182
A	GLY183
D	GLY183
D	ASP185
D	LEU187
D	GLY197
D	GLN199
D	ASP201
D	ASP205
D	ASP206
D	GLU208
A	ASP185
A	LEU187
A	GLY197
A	GLN199
A	ASP201

site_id	SWS_FT_FI3
Number of Residues	28
Details	BINDING: BINDING => ECO:0000269\|PubMed:12051944, ECO:0000269\|PubMed:12077439

Chain	Residue	Details
A	HIS175
B	HIS190
B	HIS203
B	HIS226
B	HIS230
B	HIS236
C	HIS175
C	ASP177
C	HIS190
C	HIS203
C	HIS226
A	ASP177
C	HIS230
C	HIS236
D	HIS175
D	ASP177
D	HIS190
D	HIS203
D	HIS226
D	HIS230
D	HIS236
A	HIS190
A	HIS203
A	HIS226
A	HIS230
A	HIS236
B	HIS175
B	ASP177

site_id	SWS_FT_FI4
Number of Residues	8
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN120
A	ASN127
B	ASN120
B	ASN127
C	ASN120
C	ASN127
D	ASN120
D	ASN127

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