Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4H49

Crystal structure of the catalytic domain of MMP-12 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	HIS218
A	HIS222
A	HIS228
B	L29601

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

Chain	Residue
A	HIS168
A	ASP170
A	HIS183
A	HIS196

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

Chain	Residue
A	GLY190
A	GLY192
A	ASP194
A	HOH431
A	HOH432
A	ASP158

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 304

Chain	Residue
A	ASP124
A	GLU199
A	GLU201
A	HOH408
A	HOH409

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 305

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

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PGO A 306

Chain	Residue
A	GLY166
A	ALA167
A	DMS307

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS A 307

Chain	Residue
A	ARG165
A	HIS168
A	PGO306

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEG A 308

Chain	Residue
A	ASN120
A	TYR121
A	ARG127
A	PGO309
A	HOH447

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PGO A 309

Chain	Residue
A	ASN119
A	ARG127
A	PEG308

site_id	BC1
Number of Residues	33
Details	BINDING SITE FOR RESIDUE L29 B 601

Chain	Residue
A	ILE180
A	LEU181
A	ALA182
A	LEU214
A	THR215
A	HIS218
A	GLU219
A	HIS222
A	HIS228
A	VAL235
A	PHE237
A	PRO238
A	THR239
A	TYR240
A	ZN301
B	ILE180
B	LEU181
B	ALA182
B	LEU214
B	HIS218
B	GLU219
B	HIS222
B	HIS228
B	VAL235
B	PHE237
B	PRO238
B	THR239
B	TYR240
B	ZN602
B	GOL608
B	HOH728
B	HOH729
B	HOH731

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 602

Chain	Residue
B	HIS218
B	HIS222
B	HIS228
B	L29601

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 603

Chain	Residue
B	HIS168
B	ASP170
B	HIS183
B	HIS196

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B 604

Chain	Residue
B	ASP158
B	GLY190
B	GLY192
B	ASP194
B	HOH735

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 605

Chain	Residue
B	ASP124
B	GLU199
B	GLU201
B	HOH708

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 606

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

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEG B 607

Chain	Residue
B	HOH750
A	GLY178
A	GLY179
B	TYR240
B	TYR242

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 608

Chain	Residue
B	THR239
B	LYS241
B	VAL243
B	L29601
B	HOH732

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 301

Chain	Residue
C	HIS218
C	HIS222
C	HIS228
C	L29306

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 302

Chain	Residue
C	HIS168
C	ASP170
C	HIS183
C	HIS196

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA C 303

Chain	Residue
C	ASP158
C	GLY190
C	GLY192
C	ASP194
C	HOH413

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA C 304

Chain	Residue
C	ASP124
C	GLU199
C	GLU201

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 305

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

site_id	CC5
Number of Residues	31
Details	BINDING SITE FOR RESIDUE L29 C 306

Chain	Residue
C	ILE180
C	LEU181
C	ALA182
C	LEU214
C	HIS218
C	GLU219
C	HIS222
C	HIS228
C	VAL235
C	PHE237
C	PRO238
C	THR239
C	TYR240
C	ZN301
C	HOH444
C	HOH445
D	ILE180
D	LEU181
D	ALA182
D	LEU214
D	HIS218
D	GLU219
D	HIS222
D	HIS228
D	VAL235
D	PHE237
D	PRO238
D	THR239
D	TYR240
D	ZN301
D	HOH415

site_id	CC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PEG C 307

Chain	Residue
B	GLU128
C	TYR116
C	ARG135
C	PHE149
C	LYS151
C	HOH411
C	HOH423
C	HOH435

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 301

Chain	Residue
C	L29306
D	HIS218
D	HIS222
D	HIS228

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

Chain	Residue
D	HIS168
D	ASP170
D	HIS183
D	HIS196

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA D 303

Chain	Residue
D	ASP158
D	GLY190
D	GLY192
D	ASP194
D	HOH410

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA D 304

Chain	Residue
D	ASP124
D	GLU199
D	GLU201
D	HOH408
D	HOH449

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

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

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG D 306

Chain	Residue
D	VAL108
D	ARG110
D	LYS111
D	GLY188

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	THR215-LEU224

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE:

Chain	Residue	Details
A	GLU219
B	GLU219
C	GLU219
D	GLU219

site_id	SWS_FT_FI2
Number of Residues	76
Details	BINDING:

Chain	Residue	Details
A	ASP124
A	GLY190
A	GLY192
A	ASP194
A	HIS196
A	ASP198
A	GLU199
A	GLU201
A	HIS218
A	HIS222
A	HIS228
A	ASP158
B	ASP124
B	ASP158
B	HIS168
B	ASP170
B	ASP175
B	GLY176
B	GLY178
B	ILE180
B	HIS183
B	GLY190
A	HIS168
B	GLY192
B	ASP194
B	HIS196
B	ASP198
B	GLU199
B	GLU201
B	HIS218
B	HIS222
B	HIS228
C	ASP124
A	ASP170
C	ASP158
C	HIS168
C	ASP170
C	ASP175
C	GLY176
C	GLY178
C	ILE180
C	HIS183
C	GLY190
C	GLY192
A	ASP175
C	ASP194
C	HIS196
C	ASP198
C	GLU199
C	GLU201
C	HIS218
C	HIS222
C	HIS228
D	ASP124
D	ASP158
A	GLY176
D	HIS168
D	ASP170
D	ASP175
D	GLY176
D	GLY178
D	ILE180
D	HIS183
D	GLY190
D	GLY192
D	ASP194
A	GLY178
D	HIS196
D	ASP198
D	GLU199
D	GLU201
D	HIS218
D	HIS222
D	HIS228
A	ILE180
A	HIS183

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