4HMA

Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain

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

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	0ZD306

---

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	HOH445
A	HOH446
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	3
Details	BINDING SITE FOR RESIDUE CA A 305

Chain	Residue
A	ASP131
A	ASP206
A	GLU208

---

site_id	AC6
Number of Residues	34
Details	BINDING SITE FOR RESIDUE 0ZD A 306

Chain	Residue
A	LEU187
A	LEU188
A	ALA189
A	LEU222
A	VAL223
A	HIS226
A	GLN227
A	HIS230
A	HIS236
A	LEU243
A	TYR245
A	PRO246
A	MET247
A	TYR248
A	ZN301
A	GOL307
A	HOH417
A	HOH437
A	HOH520
B	LEU187
B	LEU188
B	ALA189
B	LEU222
B	HIS226
B	GLN227
B	HIS230
B	HIS236
B	LEU243
B	TYR245
B	PRO246
B	MET247
B	TYR248
B	ZN501
B	MLT506

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 307

Chain	Residue
A	TYR179
A	LEU187
A	HIS190
A	0ZD306
A	HOH440
B	PRO240
B	TYR245
B	HOH615

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 308

Chain	Residue
A	PHE110
A	ASN262
A	PEG317
A	HOH457
A	HOH479
A	HOH518

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 309

Chain	Residue
A	PEG314
A	HOH559
A	HOH584
A	HOH587

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PGO A 310

Chain	Residue
A	GLU111
A	LEU114
A	GLY233
A	ASP235
A	HOH577

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PGO A 311

Chain	Residue
A	ASP207
A	HOH471
A	HOH529

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PGO A 312

Chain	Residue
A	GLY217
A	TYR218
A	HOH566

---

site_id	BC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PEG A 313

Chain	Residue
A	GLN199

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG A 314

Chain	Residue
A	GOL309
A	HOH557
A	HOH559

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG A 315

Chain	Residue
A	PHE156
A	THR157
B	PGO510

---

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG A 316

Chain	Residue
A	HOH444
A	HOH511
A	HOH537

---

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG A 317

Chain	Residue
A	HOH594
A	LYS184
A	GOL308
A	HOH518

---

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 501

Chain	Residue
A	0ZD306
B	HIS226
B	HIS230
B	HIS236

---

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 502

Chain	Residue
B	HIS175
B	ASP177
B	HIS190
B	HIS203

---

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 503

Chain	Residue
B	ASP165
B	GLY197
B	GLN199
B	ASP201
B	HOH611
B	HOH612

---

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 504

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

---

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 505

Chain	Residue
B	ASP131
B	ASP206
B	GLU208
B	HOH681

---

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MLT B 506

Chain	Residue
A	0ZD306
B	GLU241
B	THR251
B	PRO254
B	PRO255
B	HIS257
B	PGO509
B	HOH617

---

site_id	CC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 507

Chain	Residue
B	PEG512
B	HOH701

---

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 508

Chain	Residue
B	HOH701
B	HOH742
B	HOH743
B	HOH746

---

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGO B 509

Chain	Residue
B	THR251
B	GLY253
B	PRO254
B	MLT506

---

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PGO B 510

Chain	Residue
A	PEG315
B	HOH714
B	HOH739

---

site_id	DC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PGO B 511

Chain	Residue
B	SER238
B	HOH729

---

site_id	DC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEG B 512

Chain	Residue
B	GOL507
B	HOH743

---

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEG B 513

Chain	Residue
B	ASP259
B	ASN262
B	GLY263
B	HIS266
B	HOH735

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"12051944","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12051944","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	14
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12051944","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12077439","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---