Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3Q9B

Crystal Structure of APAH complexed with M344

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004407	molecular_function	histone deacetylase activity
A	0016787	molecular_function	hydrolase activity
A	0040029	biological_process	epigenetic regulation of gene expression
A	0046872	molecular_function	metal ion binding
A	0047609	molecular_function	acetylputrescine deacetylase activity
A	0047611	molecular_function	acetylspermidine deacetylase activity
B	0004407	molecular_function	histone deacetylase activity
B	0016787	molecular_function	hydrolase activity
B	0040029	biological_process	epigenetic regulation of gene expression
B	0046872	molecular_function	metal ion binding
B	0047609	molecular_function	acetylputrescine deacetylase activity
B	0047611	molecular_function	acetylspermidine deacetylase activity
C	0004407	molecular_function	histone deacetylase activity
C	0016787	molecular_function	hydrolase activity
C	0040029	biological_process	epigenetic regulation of gene expression
C	0046872	molecular_function	metal ion binding
C	0047609	molecular_function	acetylputrescine deacetylase activity
C	0047611	molecular_function	acetylspermidine deacetylase activity
D	0004407	molecular_function	histone deacetylase activity
D	0016787	molecular_function	hydrolase activity
D	0040029	biological_process	epigenetic regulation of gene expression
D	0046872	molecular_function	metal ion binding
D	0047609	molecular_function	acetylputrescine deacetylase activity
D	0047611	molecular_function	acetylspermidine deacetylase activity
E	0004407	molecular_function	histone deacetylase activity
E	0016787	molecular_function	hydrolase activity
E	0040029	biological_process	epigenetic regulation of gene expression
E	0046872	molecular_function	metal ion binding
E	0047609	molecular_function	acetylputrescine deacetylase activity
E	0047611	molecular_function	acetylspermidine deacetylase activity
F	0004407	molecular_function	histone deacetylase activity
F	0016787	molecular_function	hydrolase activity
F	0040029	biological_process	epigenetic regulation of gene expression
F	0046872	molecular_function	metal ion binding
F	0047609	molecular_function	acetylputrescine deacetylase activity
F	0047611	molecular_function	acetylspermidine deacetylase activity
G	0004407	molecular_function	histone deacetylase activity
G	0016787	molecular_function	hydrolase activity
G	0040029	biological_process	epigenetic regulation of gene expression
G	0046872	molecular_function	metal ion binding
G	0047609	molecular_function	acetylputrescine deacetylase activity
G	0047611	molecular_function	acetylspermidine deacetylase activity
H	0004407	molecular_function	histone deacetylase activity
H	0016787	molecular_function	hydrolase activity
H	0040029	biological_process	epigenetic regulation of gene expression
H	0046872	molecular_function	metal ion binding
H	0047609	molecular_function	acetylputrescine deacetylase activity
H	0047611	molecular_function	acetylspermidine deacetylase activity
I	0004407	molecular_function	histone deacetylase activity
I	0016787	molecular_function	hydrolase activity
I	0040029	biological_process	epigenetic regulation of gene expression
I	0046872	molecular_function	metal ion binding
I	0047609	molecular_function	acetylputrescine deacetylase activity
I	0047611	molecular_function	acetylspermidine deacetylase activity
J	0004407	molecular_function	histone deacetylase activity
J	0016787	molecular_function	hydrolase activity
J	0040029	biological_process	epigenetic regulation of gene expression
J	0046872	molecular_function	metal ion binding
J	0047609	molecular_function	acetylputrescine deacetylase activity
J	0047611	molecular_function	acetylspermidine deacetylase activity
K	0004407	molecular_function	histone deacetylase activity
K	0016787	molecular_function	hydrolase activity
K	0040029	biological_process	epigenetic regulation of gene expression
K	0046872	molecular_function	metal ion binding
K	0047609	molecular_function	acetylputrescine deacetylase activity
K	0047611	molecular_function	acetylspermidine deacetylase activity
L	0004407	molecular_function	histone deacetylase activity
L	0016787	molecular_function	hydrolase activity
L	0040029	biological_process	epigenetic regulation of gene expression
L	0046872	molecular_function	metal ion binding
L	0047609	molecular_function	acetylputrescine deacetylase activity
L	0047611	molecular_function	acetylspermidine deacetylase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS A 403

Chain	Residue
A	TYR19
A	GLY20
A	HOH730
I	TRP78
I	TYR83
I	GLU106

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 405

Chain	Residue
A	ASP64
A	HOH2257
A	LEU60
A	LYS61
A	HIS63

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 413

Chain	Residue
A	ILE101
A	PRO102
J	GLY210
J	HOH410
J	HOH1458

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 415

Chain	Residue
A	ILE142
A	ALA186
A	GLU275
A	ALA276

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 417

Chain	Residue
A	GLN179
J	ALA65
J	GLY66
J	ASN69

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS A 419

Chain	Residue
A	TYR247
A	ARG268

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS A 423

Chain	Residue
A	ARG53
A	HIS54
A	ALA133

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 342

Chain	Residue
A	THR90
A	GLU106
I	TYR19
I	GLY20
I	HOH722

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 411

Chain	Residue
A	ARG95
A	ARG96
A	HOH1536
I	ASN200
I	ASP204

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS A 421

Chain	Residue
A	THR97
I	TYR207

site_id	BC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE B3N A 401

Chain	Residue
A	TYR19
A	PHE27
A	HIS158
A	HIS159
A	TYR168
A	ASP195
A	HIS197
A	PHE225
A	ASP284
A	PRO290
A	ILE291
A	ZN345
A	HOH806
A	HOH1212

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K A 343

Chain	Residue
A	ASP193
A	ASP195
A	HIS197
A	SER216
A	LEU217

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 344

Chain	Residue
A	PHE206
A	ARG209
A	VAL212
A	THR243
A	HOH829

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 345

Chain	Residue
A	ASP195
A	HIS197
A	ASP284
A	B3N401

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K A 346

Chain	Residue
A	PHE286
A	GLU287
A	ASP289
A	SER292
A	PHE294
A	HOH1861

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS B 403

Chain	Residue
B	TYR19
B	GLY20
B	B3N407
B	HOH733
F	TYR83
F	GLU106

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS B 405

Chain	Residue
B	LEU60
B	LYS61
B	HOH2258

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS B 411

Chain	Residue
B	ASN200
B	ASP204
B	LEU229
B	HOH1148
F	ARG95
F	ARG96
F	THR97

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS B 413

Chain	Residue
B	ILE101
B	PRO102
B	HOH1028
L	GLY210
L	HOH394

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS B 415

Chain	Residue
B	ILE142
B	GLU275
B	ALA276

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS B 417

Chain	Residue
B	GLN179
B	ASP183
B	ARG209
L	GLY66
L	ASN69

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS B 419

Chain	Residue
B	TYR247
B	ARG268

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS B 423

Chain	Residue
B	ARG53
B	HIS54
B	ALA133

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS B 342

Chain	Residue
B	TYR83
B	GLU106
B	HOH971
F	TYR19
F	GLY20

site_id	CC7
Number of Residues	14
Details	BINDING SITE FOR RESIDUE B3N B 407

Chain	Residue
B	TYR19
B	PHE27
B	HIS158
B	HIS159
B	TYR168
B	ASP195
B	HIS197
B	PHE225
B	ASP284
B	PRO290
B	ILE291
B	ZN345
B	DMS403
B	HOH652

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K B 343

Chain	Residue
B	ASP193
B	ASP195
B	HIS197
B	SER216
B	LEU217

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA B 344

Chain	Residue
B	PHE206
B	ARG209
B	VAL212
B	THR243
B	HOH590

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 345

Chain	Residue
B	ASP195
B	HIS197
B	ASP284
B	B3N407

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K B 346

Chain	Residue
B	PHE286
B	GLU287
B	ASP289
B	SER292
B	PHE294
B	HOH1756

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS C 405

Chain	Residue
C	LEU60
C	LYS61
C	ASP64
C	HOH1167
C	HOH2057

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS C 415

Chain	Residue
C	ILE142
C	GLU275
C	ALA276

site_id	DC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE DMS C 419

Chain	Residue
C	TYR247

site_id	DC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS C 423

Chain	Residue
C	ARG53
C	HIS54
C	ALA133

site_id	DC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS C 411

Chain	Residue
C	ARG95
C	ARG96
C	THR97
C	HOH1405
K	ASN200
K	ASP204

site_id	DC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS C 421

Chain	Residue
C	ARG96
C	THR97
K	LEU229

site_id	DC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE B3N C 401

Chain	Residue
C	TYR19
C	PHE27
C	HIS158
C	HIS159
C	TYR168
C	ASP195
C	HIS197
C	PHE225
C	ASP284
C	PRO290
C	ILE291
C	TYR323
C	ZN344
C	HOH366
C	HOH622
C	HOH1232
C	HOH1770

site_id	EC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K C 342

Chain	Residue
C	ASP193
C	ASP195
C	HIS197
C	SER216
C	LEU217

site_id	EC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA C 343

Chain	Residue
C	PHE206
C	ARG209
C	VAL212
C	THR243
C	HOH827

site_id	EC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 344

Chain	Residue
C	ASP195
C	HIS197
C	ASP284
C	B3N401

site_id	EC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K C 345

Chain	Residue
C	PHE286
C	GLU287
C	ASP289
C	SER292
C	PHE294

site_id	EC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS D 405

Chain	Residue
D	LEU60
D	LYS61
D	HIS63
D	HOH1525

site_id	EC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS D 411

Chain	Residue
D	ASN200
D	ASP204
D	LEU229
D	HOH1880
J	ARG95
J	ARG96
J	THR97

site_id	EC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS D 413

Chain	Residue
D	ILE101
D	PRO102
D	HOH1639
H	GLY210

site_id	EC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS D 415

Chain	Residue
D	GLU275
D	ALA276
D	HOH1661

site_id	EC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS D 417

Chain	Residue
D	GLN179
D	ARG209
H	ALA65
H	ASN69

site_id	FC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS D 419

Chain	Residue
D	ALA245
D	ASN246
D	TYR247

site_id	FC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS D 421

Chain	Residue
D	TYR207
D	GLU234
J	THR97

site_id	FC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS D 423

Chain	Residue
D	ALA52
D	ARG53
D	HIS54
D	ALA133

site_id	FC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS D 403

Chain	Residue
D	TYR83
J	TYR19
J	GLY20

site_id	FC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS D 342

Chain	Residue
D	ARG95
D	ARG96
D	THR97
D	HOH1795
J	ASN200
J	ASP204

site_id	FC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS D 343

Chain	Residue
D	ARG96
D	THR97
D	SER98
J	TYR207
J	GLU234

site_id	FC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE B3N D 407

Chain	Residue
D	TYR19
D	PHE27
D	HIS158
D	HIS159
D	TYR168
D	ASP195
D	HIS197
D	PHE225
D	ASP284
D	PRO290
D	ILE291
D	ZN346
D	HOH568
D	HOH601
D	HOH1908

site_id	FC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K D 344

Chain	Residue
D	ASP193
D	ASP195
D	HIS197
D	SER216
D	LEU217

site_id	FC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA D 345

Chain	Residue
D	PHE206
D	ARG209
D	VAL212
D	THR243
D	HOH586

site_id	GC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 346

Chain	Residue
D	ASP195
D	HIS197
D	ASP284
D	B3N407

site_id	GC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K D 347

Chain	Residue
D	PHE286
D	GLU287
D	ASP289
D	SER292
D	PHE294
D	HOH1860

site_id	GC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS E 403

Chain	Residue
E	TYR19
E	GLY20
H	TRP78
H	TYR83
H	GLU106

site_id	GC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS E 405

Chain	Residue
E	LEU60
E	LYS61
E	VAL62
E	HIS63

site_id	GC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS E 413

Chain	Residue
E	ILE101
E	PRO102
E	HOH965

site_id	GC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS E 415

Chain	Residue
E	ILE142
E	GLU275
E	ALA276
E	HOH705

site_id	GC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS E 417

Chain	Residue
E	GLN179
E	ASP183
I	GLY66
I	ASN69

site_id	GC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS E 419

Chain	Residue
E	ASN246
E	TYR247
E	ARG268

site_id	GC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS E 423

Chain	Residue
E	ALA52
E	ARG53
E	HIS54
E	ALA133

site_id	HC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS E 342

Chain	Residue
E	TRP78
E	TYR83
E	GLU106
H	TYR19
H	GLY20
H	HOH910

site_id	HC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS E 411

Chain	Residue
E	ARG95
E	ARG96
E	THR97
E	HOH1331
H	ASN200
H	ASP204
H	LEU229

site_id	HC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS E 421

Chain	Residue
E	ARG96
E	THR97
E	SER98
H	TYR207

site_id	HC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE B3N E 401

Chain	Residue
E	TYR19
E	PHE27
E	HIS158
E	HIS159
E	TYR168
E	ASP195
E	HIS197
E	PHE225
E	ASP284
E	PRO290
E	ILE291
E	ZN345

site_id	HC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K E 343

Chain	Residue
E	ASP193
E	ASP195
E	HIS197
E	SER216
E	LEU217

site_id	HC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA E 344

Chain	Residue
E	PHE206
E	ARG209
E	VAL212
E	THR243
E	HOH556

site_id	HC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 345

Chain	Residue
E	ASP195
E	HIS197
E	ASP284
E	B3N401

site_id	HC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K E 346

Chain	Residue
E	PHE286
E	GLU287
E	ASP289
E	SER292
E	PHE294
E	HOH1766

site_id	HC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS F 421

Chain	Residue
B	TYR207
F	ARG96
F	THR97

site_id	IC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS F 413

Chain	Residue
C	ILE101
C	PRO102
F	HOH804
F	HOH1635

site_id	IC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS F 417

Chain	Residue
C	GLN179
F	ALA65
F	GLY66
F	ASN69

site_id	IC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS F 405

Chain	Residue
F	LEU60
F	ASP64
F	HOH743

site_id	IC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS F 411

Chain	Residue
B	ARG95
B	ARG96
F	ASN114
F	ASN200
F	LEU229
F	HOH1550

site_id	IC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS F 342

Chain	Residue
C	GLY210
C	HOH605
F	PRO102
F	HOH951

site_id	IC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS F 415

Chain	Residue
F	ILE142
F	GLU275
F	ALA276

site_id	IC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS F 343

Chain	Residue
F	GLN179
F	ASP183
F	ARG209

site_id	IC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS F 419

Chain	Residue
F	TYR247
F	ARG268

site_id	IC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS F 344

Chain	Residue
B	THR97
F	TYR207
F	GLU234

site_id	JC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS F 423

Chain	Residue
F	ARG53
F	HIS54
F	ALA133

site_id	JC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE B3N F 407

Chain	Residue
F	TYR19
F	PHE27
F	HIS158
F	HIS159
F	TYR168
F	ASP195
F	HIS197
F	PHE225
F	ASP284
F	PRO290
F	ILE291
F	TYR323
F	ZN347
F	HOH602
F	HOH604

site_id	JC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K F 345

Chain	Residue
F	ASP193
F	ASP195
F	HIS197
F	SER216
F	LEU217

site_id	JC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA F 346

Chain	Residue
F	PHE206
F	ARG209
F	VAL212
F	THR243
F	HOH830

site_id	JC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 347

Chain	Residue
F	ASP195
F	HIS197
F	ASP284
F	B3N407

site_id	JC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K F 348

Chain	Residue
F	PHE286
F	GLU287
F	ASP289
F	SER292
F	PHE294
F	HOH1736

site_id	JC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS G 403

Chain	Residue
G	TYR19
G	GLY20
G	HOH351
L	TRP78
L	TYR83
L	HOH1622

site_id	JC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS G 405

Chain	Residue
G	LEU60
G	LYS61
G	ASP64

site_id	JC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS G 411

Chain	Residue
G	ASN114
G	ASN200
G	LEU229
G	HOH1126
L	ARG95
L	ARG96
L	THR97

site_id	KC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS G 413

Chain	Residue
G	ILE101
G	PRO102
G	HOH369
G	HOH905
K	GLY210

site_id	KC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS G 415

Chain	Residue
G	ILE142
G	GLU275
G	ALA276

site_id	KC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS G 417

Chain	Residue
G	GLN179
G	ARG209
G	HOH2267
K	ALA65
K	GLY66
K	ASN69

site_id	KC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS G 419

Chain	Residue
G	ALA232
G	ARG268

site_id	KC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS G 423

Chain	Residue
G	ALA52
G	ARG53
G	HIS54
G	ALA133
G	HOH1949

site_id	KC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS G 342

Chain	Residue
G	TYR83
G	GLU106
G	HOH732
L	TYR19
L	GLY20

site_id	KC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS G 343

Chain	Residue
G	ARG95
G	ARG96
G	THR97
G	HOH1438
L	MET164
L	ASN200
L	LEU229

site_id	KC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE B3N G 401

Chain	Residue
G	TYR19
G	PHE27
G	GLU117
G	HIS158
G	HIS159
G	TYR168
G	ASP195
G	HIS197
G	PHE225
G	ASP284
G	PRO290
G	ILE291
G	ZN346
G	HOH753

site_id	KC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K G 344

Chain	Residue
G	ASP193
G	ASP195
G	HIS197
G	SER216
G	LEU217

site_id	LC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA G 345

Chain	Residue
G	PHE206
G	ARG209
G	VAL212
G	THR243
G	HOH555

site_id	LC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN G 346

Chain	Residue
G	ASP195
G	HIS197
G	ASP284
G	B3N401

site_id	LC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K G 347

Chain	Residue
G	PHE286
G	GLU287
G	ASP289
G	SER292
G	PHE294
G	HOH1873

site_id	LC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS H 411

Chain	Residue
E	ASN200
E	ASP204
E	LEU229
H	ARG95
H	ARG96
H	THR97
H	HOH1591

site_id	LC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS H 421

Chain	Residue
E	TYR207
H	ARG96
H	THR97

site_id	LC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS H 405

Chain	Residue
H	LEU60
H	LYS61
H	HIS63
H	HOH788

site_id	LC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS H 413

Chain	Residue
D	GLY210
D	HOH1648
H	ILE101
H	PRO102
H	HOH346

site_id	LC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS H 415

Chain	Residue
H	ILE142
H	GLU275
H	ALA276

site_id	LC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS H 417

Chain	Residue
D	ASN69
H	GLN179
H	ARG209

site_id	MC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS H 419

Chain	Residue
H	ASN246
H	TYR247

site_id	MC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS H 423

Chain	Residue
H	ARG53
H	HIS54
H	LEU129
H	SER130
H	HOH1892

site_id	MC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE B3N H 407

Chain	Residue
H	TYR19
H	PHE27
H	GLU117
H	HIS158
H	HIS159
H	TYR168
H	ASP195
H	HIS197
H	PHE225
H	ASP284
H	PRO290
H	ILE291
H	ZN344
H	HOH603
H	HOH1036

site_id	MC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K H 342

Chain	Residue
H	ASP193
H	ASP195
H	HIS197
H	SER216
H	LEU217

site_id	MC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA H 343

Chain	Residue
H	PHE206
H	ARG209
H	VAL212
H	THR243
H	HOH567

site_id	MC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 344

Chain	Residue
H	ASP195
H	HIS197
H	ASP284
H	B3N407

site_id	MC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K H 345

Chain	Residue
H	PHE286
H	GLU287
H	ASP289
H	SER292
H	PHE294
H	HOH1859

site_id	MC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS I 411

Chain	Residue
A	ASN114
A	ASN200
A	LEU229
I	ARG95
I	ARG96
I	THR97
I	HOH1599

site_id	MC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS I 421

Chain	Residue
A	TYR207
I	ARG96
I	THR97

site_id	NC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS I 405

Chain	Residue
I	LEU60
I	LYS61
I	HIS63
I	ASP64
I	HOH366
I	HOH1350

site_id	NC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS I 413

Chain	Residue
E	GLY210
E	HOH495
E	HOH1501
I	ILE101
I	PRO102

site_id	NC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS I 415

Chain	Residue
I	ILE142
I	GLU275
I	ALA276

site_id	NC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS I 417

Chain	Residue
E	GLY66
I	GLN179
I	ASP183
I	ARG209

site_id	NC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS I 419

Chain	Residue
I	ASN246
I	TYR247

site_id	NC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS I 423

Chain	Residue
I	ARG53
I	HIS54
I	ALA133

site_id	NC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE B3N I 401

Chain	Residue
I	TYR19
I	PHE27
I	HIS158
I	HIS159
I	TYR168
I	ASP195
I	HIS197
I	PHE225
I	ASP284
I	PRO290
I	ILE291
I	TYR323
I	ZN344
I	HOH650
I	HOH2236

site_id	NC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K I 342

Chain	Residue
I	ASP193
I	ASP195
I	HIS197
I	SER216
I	LEU217

site_id	NC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA I 343

Chain	Residue
I	PHE206
I	ARG209
I	VAL212
I	THR243
I	HOH569

site_id	OC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN I 344

Chain	Residue
I	ASP195
I	HIS197
I	ASP284
I	B3N401

site_id	OC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS J 403

Chain	Residue
D	TYR19
D	GLY20
D	HOH718
J	TYR83
J	GLU106

site_id	OC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS J 405

Chain	Residue
J	LEU60
J	LYS61
J	HIS63
J	ASP64
J	HOH1203
J	HOH1376

site_id	OC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS J 413

Chain	Residue
A	GLY210
A	HOH372
A	HOH969
J	ILE101
J	PRO102

site_id	OC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS J 415

Chain	Residue
J	ILE142
J	GLU275
J	ALA276
J	HOH1011

site_id	OC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS J 417

Chain	Residue
A	ASN69
J	GLN179
J	ASP183
J	ARG209

site_id	OC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS J 419

Chain	Residue
J	TYR247
J	ARG268

site_id	OC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS J 423

Chain	Residue
J	ARG53
J	HIS54

site_id	OC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE B3N J 407

Chain	Residue
J	TYR19
J	PHE27
J	HIS158
J	HIS159
J	TYR168
J	ASP195
J	HIS197
J	ASP284
J	PRO290
J	ILE291
J	ZN344

site_id	PC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K J 342

Chain	Residue
J	ASP193
J	ASP195
J	HIS197
J	SER216
J	LEU217

site_id	PC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA J 343

Chain	Residue
J	PHE206
J	ARG209
J	VAL212
J	THR243
J	HOH839

site_id	PC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN J 344

Chain	Residue
J	ASP195
J	HIS197
J	ASP284
J	B3N407

site_id	PC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K J 345

Chain	Residue
J	PHE286
J	GLU287
J	ASP289
J	SER292
J	PHE294
J	HOH1875

site_id	PC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS K 403

Chain	Residue
C	TYR19
C	GLY20
K	TRP78
K	TYR83
K	GLU106
K	HOH717

site_id	PC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DMS K 411

Chain	Residue
C	ASN114
C	ASN200
C	ASP204
C	LEU229
K	ARG95
K	ARG96
K	THR97
K	HOH1879

site_id	PC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS K 421

Chain	Residue
C	TYR207
C	GLU234
K	THR97

site_id	PC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS K 342

Chain	Residue
C	TYR83
C	GLU106
K	TYR19
K	GLY20
K	B3N401
K	HOH894

site_id	PC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS K 405

Chain	Residue
K	LEU60
K	LYS61
K	HIS63
K	HOH2259

site_id	QC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS K 413

Chain	Residue
G	HOH963
K	ILE101
K	PRO102

site_id	QC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS K 415

Chain	Residue
K	ILE142
K	GLU275
K	ALA276

site_id	QC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS K 417

Chain	Residue
G	ALA65
K	GLN179
K	ARG209

site_id	QC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS K 419

Chain	Residue
K	ASN246
K	TYR247

site_id	QC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS K 423

Chain	Residue
K	ARG53
K	HIS54
K	ALA133

site_id	QC6
Number of Residues	15
Details	BINDING SITE FOR RESIDUE B3N K 401

Chain	Residue
K	TYR19
K	PHE27
K	HIS158
K	HIS159
K	TYR168
K	ASP195
K	HIS197
K	PHE225
K	ASP284
K	PRO290
K	ILE291
K	TYR323
K	DMS342
K	ZN345
K	HOH729

site_id	QC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K K 343

Chain	Residue
K	ASP193
K	ASP195
K	HIS197
K	SER216
K	LEU217

site_id	QC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA K 344

Chain	Residue
K	PHE206
K	ARG209
K	VAL212
K	THR243
K	HOH573

site_id	QC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN K 345

Chain	Residue
K	ASP195
K	HIS197
K	ASP284
K	B3N401

site_id	RC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K K 346

Chain	Residue
K	PHE286
K	GLU287
K	ASP289
K	SER292
K	PHE294
K	HOH1876

site_id	RC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS L 421

Chain	Residue
G	TYR207
G	GLU234
L	THR97
L	HOH1537

site_id	RC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS L 405

Chain	Residue
L	LEU60
L	LYS61
L	HIS63
L	HOH1421
L	HOH2261

site_id	RC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS L 413

Chain	Residue
B	GLY210
B	HOH374
L	ILE101
L	PRO102
L	HOH1116

site_id	RC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS L 415

Chain	Residue
L	ILE142
L	GLU275
L	ALA276

site_id	RC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS L 417

Chain	Residue
L	GLN179
L	ASP183
L	ARG209

site_id	RC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS L 419

Chain	Residue
L	TYR247
L	ARG268

site_id	RC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS L 342

Chain	Residue
G	THR97
L	TYR207

site_id	RC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS L 423

Chain	Residue
L	ARG53
L	HIS54

site_id	SC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE B3N L 407

Chain	Residue
L	TYR19
L	PHE27
L	GLU117
L	HIS158
L	HIS159
L	TYR168
L	ASP195
L	HIS197
L	PHE225
L	ASP284
L	PRO290
L	ILE291
L	ZN345
L	HOH547
L	HOH548

site_id	SC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K L 343

Chain	Residue
L	ASP193
L	ASP195
L	HIS197
L	SER216
L	LEU217

site_id	SC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA L 344

Chain	Residue
L	PHE206
L	ARG209
L	VAL212
L	THR243
L	HOH581

site_id	SC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN L 345

Chain	Residue
L	ASP195
L	HIS197
L	ASP284
L	B3N407

site_id	SC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K L 346

Chain	Residue
L	PHE286
L	GLU287
L	ASP289
L	SER292
L	PHE294
L	HOH1735

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"21268586","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26200446","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21268586","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3Q9E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21268586","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3Q9C","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21268586","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26200446","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3Q9B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3Q9E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	12
Details	Site: {"description":"Polarizes the scissile carbonyl of the substrate","evidences":[{"source":"PubMed","id":"21268586","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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