Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5I3M

Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31).

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	17
Details	binding site for residue 67F A 301

Chain	Residue
A	ILE180
A	VAL235
A	PHE237
A	PRO238
A	THR239
A	TYR240
A	ZN302
A	HOH455
C	GLU128
A	LEU181
A	ALA182
A	HIS183
A	LEU214
A	HIS218
A	GLN219
A	HIS222
A	HIS228

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 302

Chain	Residue
A	HIS218
A	HIS222
A	HIS228
A	67F301

site_id	AC3
Number of Residues	4
Details	binding site for residue ZN A 303

Chain	Residue
A	HIS168
A	ASP170
A	HIS183
A	HIS196

site_id	AC4
Number of Residues	5
Details	binding site for residue CA A 304

Chain	Residue
A	ASP158
A	GLY190
A	GLY192
A	ASP194
A	HOH403

site_id	AC5
Number of Residues	5
Details	binding site for residue CA A 305

Chain	Residue
A	ASP124
A	GLU199
A	GLU201
A	HOH452
A	HOH462

site_id	AC6
Number of Residues	6
Details	binding site for residue CA A 306

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

site_id	AC7
Number of Residues	2
Details	binding site for residue DMS A 307

Chain	Residue
A	HIS172
A	PHE185

site_id	AC8
Number of Residues	5
Details	binding site for residue PGO A 308

Chain	Residue
A	LYS136
A	THR205
A	PHE213
A	HOH439
A	HOH472

site_id	AC9
Number of Residues	17
Details	binding site for residue 67F B 301

Chain	Residue
B	ILE180
B	LEU181
B	ALA182
B	HIS183
B	LEU214
B	THR215
B	HIS218
B	GLN219
B	HIS222
B	HIS228
B	VAL235
B	PHE237
B	PRO238
B	TYR240
B	ZN302
B	HOH450
D	ASP231

site_id	AD1
Number of Residues	4
Details	binding site for residue ZN B 302

Chain	Residue
B	HIS218
B	HIS222
B	HIS228
B	67F301

site_id	AD2
Number of Residues	4
Details	binding site for residue ZN B 303

Chain	Residue
B	HIS168
B	ASP170
B	HIS183
B	HIS196

site_id	AD3
Number of Residues	6
Details	binding site for residue CA B 304

Chain	Residue
B	ASP158
B	GLY190
B	GLY192
B	ASP194
B	HOH430
B	HOH444

site_id	AD4
Number of Residues	5
Details	binding site for residue CA B 305

Chain	Residue
B	ASP124
B	GLU199
B	GLU201
B	HOH467
B	HOH471

site_id	AD5
Number of Residues	6
Details	binding site for residue CA B 306

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

site_id	AD6
Number of Residues	3
Details	binding site for residue PGO B 307

Chain	Residue
B	LEU226
B	SER229
B	ASP253

site_id	AD7
Number of Residues	2
Details	binding site for residue DIO B 308

Chain	Residue
B	ALA184
B	PHE185

site_id	AD8
Number of Residues	3
Details	binding site for residue DIO B 309

Chain	Residue
B	ALA133
B	THR205
B	HOH442

site_id	AD9
Number of Residues	19
Details	binding site for residue 67F C 301

Chain	Residue
C	ASP175
C	GLY179
C	ILE180
C	LEU181
C	ALA182
C	HIS183
C	LEU214
C	HIS218
C	GLN219
C	HIS222
C	HIS228
C	VAL235
C	PHE237
C	PRO238
C	TYR240
C	ZN302
C	HOH409
C	HOH420
A	ARG135

site_id	AE1
Number of Residues	4
Details	binding site for residue ZN C 302

Chain	Residue
C	HIS218
C	HIS222
C	HIS228
C	67F301

site_id	AE2
Number of Residues	4
Details	binding site for residue ZN C 303

Chain	Residue
C	HIS168
C	ASP170
C	HIS183
C	HIS196

site_id	AE3
Number of Residues	6
Details	binding site for residue CA C 304

Chain	Residue
C	ASP158
C	GLY190
C	GLY192
C	ASP194
C	HOH410
C	HOH437

site_id	AE4
Number of Residues	5
Details	binding site for residue CA C 305

Chain	Residue
C	ASP124
C	GLU199
C	GLU201
C	HOH468
C	HOH469

site_id	AE5
Number of Residues	6
Details	binding site for residue CA C 306

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

site_id	AE6
Number of Residues	6
Details	binding site for residue EDO C 307

Chain	Residue
C	THR205
C	PHE213
C	ILE245
C	HOH407
C	HOH435
C	HOH470

site_id	AE7
Number of Residues	4
Details	binding site for residue DIO C 308

Chain	Residue
C	HIS183
C	ALA184
C	PHE185
C	HOH431

site_id	AE8
Number of Residues	19
Details	binding site for residue 67F D 301

Chain	Residue
B	PRO232
B	HOH423
D	ILE180
D	LEU181
D	ALA182
D	HIS183
D	LEU214
D	HIS218
D	GLN219
D	HIS222
D	HIS228
D	VAL235
D	PHE237
D	PRO238
D	THR239
D	TYR240
D	ZN302
D	DMS307
D	HOH486

site_id	AE9
Number of Residues	4
Details	binding site for residue ZN D 302

Chain	Residue
D	HIS218
D	HIS222
D	HIS228
D	67F301

site_id	AF1
Number of Residues	4
Details	binding site for residue ZN D 303

Chain	Residue
D	HIS168
D	ASP170
D	HIS183
D	HIS196

site_id	AF2
Number of Residues	6
Details	binding site for residue CA D 304

Chain	Residue
D	ASP158
D	GLY190
D	GLY192
D	ASP194
D	HOH415
D	HOH440

site_id	AF3
Number of Residues	5
Details	binding site for residue CA D 305

Chain	Residue
D	ASP124
D	GLU199
D	GLU201
D	HOH429
D	HOH450

site_id	AF4
Number of Residues	6
Details	binding site for residue CA D 306

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

site_id	AF5
Number of Residues	3
Details	binding site for residue DMS D 307

Chain	Residue
D	HIS172
D	ALA184
D	67F301

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE:

Chain	Residue	Details
A	GLN219
B	GLN219
C	GLN219
D	GLN219

site_id	SWS_FT_FI2
Number of Residues	76
Details	BINDING:

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

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