Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5I43

Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32).

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
A	67M306

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	HOH428
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	HOH444
A	HOH478

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	20
Details	binding site for residue 67M A 306

Chain	Residue
A	GLY178
A	GLY179
A	ILE180
A	LEU181
A	ALA182
A	HIS183
A	LEU214
A	HIS218
A	GLN219
A	HIS222
A	HIS228
A	VAL235
A	PHE237
A	PRO238
A	TYR240
A	ZN301
A	HOH413
A	HOH436
A	HOH466
B	LYS241

site_id	AC7
Number of Residues	1
Details	binding site for residue EDO A 307

Chain	Residue
A	ASN246

site_id	AC8
Number of Residues	4
Details	binding site for residue EDO A 308

Chain	Residue
A	LEU226
A	ASP253
A	ASP254
A	HOH441

site_id	AC9
Number of Residues	3
Details	binding site for residue EDO A 309

Chain	Residue
A	VAL108
A	TRP109
A	ARG110

site_id	AD1
Number of Residues	2
Details	binding site for residue EDO A 310

Chain	Residue
A	ASN153
A	HOH412

site_id	AD2
Number of Residues	2
Details	binding site for residue EDO A 311

Chain	Residue
A	LYS177
C	SER260

site_id	AD3
Number of Residues	5
Details	binding site for residue EDO A 312

Chain	Residue
A	GLN139
A	SER142
A	LYS148
A	PHE149
A	HOH404

site_id	AD4
Number of Residues	2
Details	binding site for residue EDO A 313

Chain	Residue
A	ASN120
A	PHE163

site_id	AD5
Number of Residues	4
Details	binding site for residue EDO A 314

Chain	Residue
A	TYR121
A	THR122
A	ARG127
A	HOH414

site_id	AD6
Number of Residues	4
Details	binding site for residue EDO A 315

Chain	Residue
A	LYS136
A	THR205
A	PHE213
A	HOH470

site_id	AD7
Number of Residues	4
Details	binding site for residue EDO A 316

Chain	Residue
A	GLY166
A	PHE174
A	ASP175
A	GLY176

site_id	AD8
Number of Residues	20
Details	binding site for residue 67M B 301

Chain	Residue
A	HOH435
B	GLY179
B	ILE180
B	LEU181
B	ALA182
B	HIS183
B	LEU214
B	HIS218
B	GLN219
B	HIS222
B	HIS228
B	VAL235
B	PHE237
B	PRO238
B	TYR240
B	ZN302
B	DMS312
B	HOH434
B	HOH468
B	HOH533

site_id	AD9
Number of Residues	4
Details	binding site for residue ZN B 302

Chain	Residue
B	67M301
B	HIS218
B	HIS222
B	HIS228

site_id	AE1
Number of Residues	4
Details	binding site for residue ZN B 303

Chain	Residue
B	HIS168
B	ASP170
B	HIS183
B	HIS196

site_id	AE2
Number of Residues	6
Details	binding site for residue CA B 304

Chain	Residue
B	ASP158
B	GLY190
B	GLY192
B	ASP194
B	HOH442
B	HOH454

site_id	AE3
Number of Residues	5
Details	binding site for residue CA B 305

Chain	Residue
B	ASP124
B	GLU199
B	GLU201
B	HOH475
B	HOH487

site_id	AE4
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	AE5
Number of Residues	5
Details	binding site for residue EDO B 307

Chain	Residue
B	ALA184
B	GLY186
B	HIS222
B	GLY225
B	LEU226

site_id	AE6
Number of Residues	3
Details	binding site for residue EDO B 308

Chain	Residue
B	LYS241
B	TYR242
B	HOH449

site_id	AE7
Number of Residues	3
Details	binding site for residue EDO B 309

Chain	Residue
B	VAL144
B	THR145
B	PRO146

site_id	AE8
Number of Residues	4
Details	binding site for residue EDO B 310

Chain	Residue
B	LYS177
B	PHE202
B	HOH416
B	HOH425

site_id	AE9
Number of Residues	1
Details	binding site for residue EDO B 311

Chain	Residue
B	HOH455

site_id	AF1
Number of Residues	2
Details	binding site for residue DMS B 312

Chain	Residue
B	PHE185
B	67M301

site_id	AF2
Number of Residues	1
Details	binding site for residue PGO B 313

Chain	Residue
B	ARG127

site_id	AF3
Number of Residues	22
Details	binding site for residue 67M C 301

Chain	Residue
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	DMS309
C	PGO312
C	HOH408
C	HOH417
C	HOH433
C	HOH519
C	HOH533

site_id	AF4
Number of Residues	4
Details	binding site for residue ZN C 302

Chain	Residue
C	HIS218
C	HIS222
C	HIS228
C	67M301

site_id	AF5
Number of Residues	4
Details	binding site for residue ZN C 303

Chain	Residue
C	HIS168
C	ASP170
C	HIS183
C	HIS196

site_id	AF6
Number of Residues	6
Details	binding site for residue CA C 304

Chain	Residue
C	ASP158
C	GLY190
C	GLY192
C	ASP194
C	HOH420
C	HOH460

site_id	AF7
Number of Residues	5
Details	binding site for residue CA C 305

Chain	Residue
C	ASP124
C	GLU199
C	GLU201
C	HOH474
C	HOH493

site_id	AF8
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	AF9
Number of Residues	3
Details	binding site for residue EDO C 307

Chain	Residue
C	ASN246
C	THR247
C	HOH415

site_id	AG1
Number of Residues	3
Details	binding site for residue EDO C 308

Chain	Residue
C	LYS241
C	TYR242
C	HOH491

site_id	AG2
Number of Residues	4
Details	binding site for residue DMS C 309

Chain	Residue
C	GLY179
C	LEU181
C	TYR240
C	67M301

site_id	AG3
Number of Residues	6
Details	binding site for residue PGO C 310

Chain	Residue
C	LEU226
C	GLY227
C	SER229
C	MET236
C	ASP253
C	HOH438

site_id	AG4
Number of Residues	6
Details	binding site for residue PGO C 311

Chain	Residue
A	ASP200
C	VAL108
C	TRP109
C	LEU261
C	HOH411
C	HOH477

site_id	AG5
Number of Residues	3
Details	binding site for residue PGO C 312

Chain	Residue
C	HIS172
C	ALA184
C	67M301

site_id	AG6
Number of Residues	2
Details	binding site for residue PGO C 313

Chain	Residue
C	VAL108
C	ARG110

site_id	AG7
Number of Residues	24
Details	binding site for residue 67M D 301

Chain	Residue
C	LYS241
D	GLY178
D	GLY179
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	TYR240
D	ZN302
D	EDO309
D	HOH428
D	HOH485
D	HOH491
D	HOH494
D	HOH503
D	HOH550

site_id	AG8
Number of Residues	4
Details	binding site for residue ZN D 302

Chain	Residue
D	HIS218
D	HIS222
D	HIS228
D	67M301

site_id	AG9
Number of Residues	4
Details	binding site for residue ZN D 303

Chain	Residue
D	HIS168
D	ASP170
D	HIS183
D	HIS196

site_id	AH1
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	HOH419

site_id	AH2
Number of Residues	5
Details	binding site for residue CA D 305

Chain	Residue
D	ASP124
D	GLU199
D	GLU201
D	HOH448
D	HOH501

site_id	AH3
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	AH4
Number of Residues	1
Details	binding site for residue EDO D 307

Chain	Residue
D	HOH432

site_id	AH5
Number of Residues	3
Details	binding site for residue EDO D 308

Chain	Residue
D	HIS172
D	ALA184
D	PHE185

site_id	AH6
Number of Residues	7
Details	binding site for residue EDO D 309

Chain	Residue
D	PRO232
D	ALA234
D	PHE237
D	THR239
D	LYS241
D	VAL243
D	67M301

site_id	AH7
Number of Residues	5
Details	binding site for residue EDO D 310

Chain	Residue
D	VAL108
D	TRP109
D	ARG110
D	GLY188
D	HOH440

site_id	AH8
Number of Residues	4
Details	binding site for residue EDO D 311

Chain	Residue
D	ARG135
D	PHE138
D	GLN139
D	PHE149

site_id	AH9
Number of Residues	3
Details	binding site for residue EDO D 312

Chain	Residue
D	ARG127
D	HOH443
D	HOH471

site_id	AI1
Number of Residues	3
Details	binding site for residue PGO D 313

Chain	Residue
D	GLY225
D	LEU226
D	GLY227

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	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)