Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3T52

L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004064	molecular_function	arylesterase activity
A	0004601	molecular_function	peroxidase activity
A	0016491	molecular_function	oxidoreductase activity
A	0016787	molecular_function	hydrolase activity
A	0098869	biological_process	cellular oxidant detoxification
B	0003824	molecular_function	catalytic activity
B	0004064	molecular_function	arylesterase activity
B	0004601	molecular_function	peroxidase activity
B	0016491	molecular_function	oxidoreductase activity
B	0016787	molecular_function	hydrolase activity
B	0098869	biological_process	cellular oxidant detoxification
C	0003824	molecular_function	catalytic activity
C	0004064	molecular_function	arylesterase activity
C	0004601	molecular_function	peroxidase activity
C	0016491	molecular_function	oxidoreductase activity
C	0016787	molecular_function	hydrolase activity
C	0098869	biological_process	cellular oxidant detoxification
D	0003824	molecular_function	catalytic activity
D	0004064	molecular_function	arylesterase activity
D	0004601	molecular_function	peroxidase activity
D	0016491	molecular_function	oxidoreductase activity
D	0016787	molecular_function	hydrolase activity
D	0098869	biological_process	cellular oxidant detoxification
E	0003824	molecular_function	catalytic activity
E	0004064	molecular_function	arylesterase activity
E	0004601	molecular_function	peroxidase activity
E	0016491	molecular_function	oxidoreductase activity
E	0016787	molecular_function	hydrolase activity
E	0098869	biological_process	cellular oxidant detoxification
F	0003824	molecular_function	catalytic activity
F	0004064	molecular_function	arylesterase activity
F	0004601	molecular_function	peroxidase activity
F	0016491	molecular_function	oxidoreductase activity
F	0016787	molecular_function	hydrolase activity
F	0098869	biological_process	cellular oxidant detoxification

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 272

Chain	Residue
A	SER1
A	TYR12
A	LYS14
A	ASP15
A	HOH540
C	ASP61
C	GLN62

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 A 273

Chain	Residue
A	ARG106

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 274

Chain	Residue
A	GLN260
A	LYS247

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 275

Chain	Residue
A	HOH871

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEO A 276

Chain	Residue
A	VAL212
A	PRO213
A	HOH980

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO A 277

Chain	Residue
A	LYS128
A	HOH723

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 278

Chain	Residue
A	LEU137
A	ALA141
A	LYS144
A	THR196
A	GLU200

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 279

Chain	Residue
A	SER156
A	ASN159
A	GLN173

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT A 280

Chain	Residue
A	ASP7
A	PRO63
A	TRP64
A	THR65
A	HOH389
A	HOH1076

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE ACT A 281

Chain	Residue
A	GLY27
A	TRP28
A	ILE29
A	LEU30
A	PHE93
A	SER94
A	PHE162
A	HIS251
A	ACT282

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT A 282

Chain	Residue
A	TRP28
A	SER94
A	MET95
A	VAL121
A	PHE125
A	ILE224
A	ACT281

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 283

Chain	Residue
A	GLN223
A	ILE224
A	HOH1073

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 272

Chain	Residue
B	LEU137
B	ALA141
B	LYS144
B	GLU200
B	PEO281

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 273

Chain	Residue
A	ASP61
A	GLN62
B	SER1
B	TYR12
B	PHE13
B	LYS14
B	ASP15
B	HOH311

site_id	BC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 B 274

Chain	Residue
B	ARG106

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 275

Chain	Residue
B	VAL245
B	TYR246
B	LYS247
B	GLN260

site_id	BC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 276

Chain	Residue
B	GLY240

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 277

Chain	Residue
B	GLN223
B	ILE224
B	ACT286
B	ACT287

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 278

Chain	Residue
B	SER1
B	THR2
B	LYS167
B	GLY168
B	HOH303
B	HOH311

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEO B 279

Chain	Residue
B	ARG102
B	ASP202
B	HOH909

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO B 280

Chain	Residue
B	GLY17
B	SER18

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEO B 281

Chain	Residue
B	ASP138
B	ALA141
B	GOL272

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEO B 282

Chain	Residue
A	HOH292
B	HOH297
B	HOH875

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT B 283

Chain	Residue
B	GLY27
B	TRP28
B	PHE93
B	SER94
B	PHE162
B	HIS251
B	ACT284

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACT B 284

Chain	Residue
B	VAL121
B	PHE125
B	PHE198
B	ILE224
B	ACT283
B	TRP28
B	SER94
B	MET95

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT B 285

Chain	Residue
B	ASP7
B	PRO63
B	TRP64
B	THR65
B	HOH359
B	HOH1096

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 286

Chain	Residue
B	ILE224
B	GOL277
B	ACT287
B	HOH797

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT B 287

Chain	Residue
B	TRP28
B	PHE143
B	PHE158
B	ILE224
B	GOL277
B	ACT286

site_id	DC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 288

Chain	Residue
B	TRP64
C	SER18

site_id	DC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 289

Chain	Residue
B	ARG45
B	HOH1146

site_id	DC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 272

Chain	Residue
B	ASP61
B	GLN62
C	SER1
C	TYR12
C	LYS14
C	ASP15
C	HOH297

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 273

Chain	Residue
C	LEU137
C	ALA141
C	LYS144
C	GLU200

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 274

Chain	Residue
C	VAL245
C	TYR246
C	LYS247
C	GLN260
C	HOH736

site_id	DC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 275

Chain	Residue
B	HIS107
C	GLN173
C	HOH310
C	HOH372
C	HOH712

site_id	DC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 276

Chain	Residue
C	ARG106
C	ACT281

site_id	DC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 277

Chain	Residue
C	GLY240

site_id	EC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 278

Chain	Residue
C	ARG45

site_id	EC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 279

Chain	Residue
C	PHE143
C	GLN223
C	ILE224
C	PRO226
C	ACT286
C	ACT287

site_id	EC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEO C 280

Chain	Residue
C	ARG102
C	ASP202
C	GOL289
C	HOH669

site_id	EC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT C 281

Chain	Residue
C	THR71
C	ASP74
C	SO4276
C	HOH847
C	HOH1072

site_id	EC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ACT C 282

Chain	Residue
C	GLY27
C	TRP28
C	ILE29
C	LEU30
C	PHE93
C	SER94
C	PHE158
C	PHE162
C	HIS251
C	ACT283

site_id	EC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE ACT C 283

Chain	Residue
C	TRP28
C	SER94
C	MET95
C	VAL121
C	PHE125
C	PHE198
C	ILE224
C	HIS251
C	ACT282

site_id	EC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO C 284

Chain	Residue
C	GLN259
C	GLU263

site_id	EC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT C 285

Chain	Residue
C	ASP7
C	PRO63
C	TRP64
C	THR65
C	HOH337
C	HOH1094
C	HOH1095

site_id	EC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT C 286

Chain	Residue
C	ILE224
C	GOL279
C	ACT287
C	HOH895

site_id	FC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT C 287

Chain	Residue
C	TRP28
C	PHE143
C	PHE158
C	GOL279
C	ACT286

site_id	FC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 288

Chain	Residue
A	ASN166
C	SER18
C	GLY19
C	HOH870

site_id	FC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 289

Chain	Residue
C	LYS128
C	ASP202
C	PEO280

site_id	FC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 272

Chain	Residue
D	LEU137
D	ALA141
D	LYS144
D	GLU200
D	HOH628

site_id	FC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 273

Chain	Residue
D	SER1
D	TYR12
D	LYS14
D	ASP15
D	HOH401
E	ASP61
E	GLN62

site_id	FC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 274

Chain	Residue
D	ARG106

site_id	FC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL D 275

Chain	Residue
D	HOH573

site_id	FC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT D 276

Chain	Residue
D	VAL245
D	LYS247
D	GLN260
D	HOH374

site_id	FC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 277

Chain	Residue
D	PHE125
D	VAL139
D	GLN223
D	ILE224
D	GOL284
D	HOH359
D	HOH1080

site_id	GC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PEO D 278

Chain	Residue
D	ASP202

site_id	GC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO D 279

Chain	Residue
D	THR214
D	GLY240

site_id	GC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D 280

Chain	Residue
D	LYS239
D	GLY240
D	HOH500
D	HOH657

site_id	GC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO D 281

Chain	Residue
D	GLU40
D	ARG45

site_id	GC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE ACT D 282

Chain	Residue
D	GLY27
D	TRP28
D	ILE29
D	PHE93
D	SER94
D	PHE158
D	PHE162
D	HIS251
D	ACT283

site_id	GC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ACT D 283

Chain	Residue
D	TRP28
D	SER94
D	MET95
D	VAL121
D	PHE125
D	PHE198
D	ILE224
D	HIS251
D	ACT282
D	GOL284

site_id	GC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 284

Chain	Residue
D	TRP28
D	PHE140
D	PHE143
D	PHE158
D	PHE198
D	ILE224
D	GOL277
D	ACT283
D	HOH1080

site_id	GC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 285

Chain	Residue
D	ALA235
D	GLU236
D	ALA241
D	HOH423
D	HOH887

site_id	GC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 286

Chain	Residue
D	GLN127
D	LYS128
D	PRO129
D	PRO132
D	HOH779

site_id	HC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 272

Chain	Residue
E	SER1
E	TYR12
E	LYS14
E	ASP15
E	HOH859
F	ASP61
F	GLN62

site_id	HC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL E 273

Chain	Residue
E	LEU137
E	ALA141
E	LYS144
E	GLU200
E	HOH814

site_id	HC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 E 274

Chain	Residue
E	ARG106

site_id	HC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 E 275

Chain	Residue
E	LYS239
E	GLY240
E	HOH794

site_id	HC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL E 276

Chain	Residue
E	LYS247
E	GLN260

site_id	HC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 277

Chain	Residue
E	PHE143
E	GLN223
E	ILE224
E	PRO226
E	ACT286
E	ACT287

site_id	HC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEO E 278

Chain	Residue
E	GLN173
E	GLY174
E	THR177
F	SER156
F	LEU180

site_id	HC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO E 279

Chain	Residue
E	SER18
E	GLY19

site_id	HC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO E 280

Chain	Residue
E	THR65
E	GLY66

site_id	IC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL E 281

Chain	Residue
E	LEU30
E	MET34
E	TYR163
E	GLN178
E	THR179
E	ILE182
E	VAL255
E	HOH326
E	HOH929
E	HOH1125

site_id	IC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEO E 282

Chain	Residue
D	TYR37
D	VAL175
E	LYS149
E	HOH1115

site_id	IC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACT E 283

Chain	Residue
E	GLY27
E	TRP28
E	LEU30
E	PHE93
E	SER94
E	PHE162
E	HIS251
E	ACT284

site_id	IC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACT E 284

Chain	Residue
E	TRP28
E	SER94
E	MET95
E	VAL121
E	PHE125
E	PHE198
E	ILE224
E	ACT283

site_id	IC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT E 285

Chain	Residue
E	ASP7
E	PRO63
E	TRP64
E	THR65
E	HOH315
E	HOH335

site_id	IC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT E 286

Chain	Residue
E	ILE224
E	GOL277
E	ACT287
E	ACT290

site_id	IC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT E 287

Chain	Residue
E	TRP28
E	PHE140
E	PHE143
E	PHE158
E	ILE224
E	GOL277
E	ACT286

site_id	IC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO E 288

Chain	Residue
E	THR201
E	ASP202

site_id	IC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL E 289

Chain	Residue
E	LYS6
E	ASP74
E	GLU81
E	HIS107
E	HOH1150

site_id	JC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT E 290

Chain	Residue
E	PHE154
E	PHE158
E	ACT286
E	HOH1123

site_id	JC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL F 272

Chain	Residue
D	ASP61
D	GLN62
F	SER1
F	TYR12
F	LYS14
F	ASP15
F	HOH322

site_id	JC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 273

Chain	Residue
F	VAL245
F	TYR246
F	LYS247
F	GLN260
F	HOH548

site_id	JC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 274

Chain	Residue
F	ILE238
F	LYS239
F	GLY240
F	HOH535
F	HOH646

site_id	JC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 F 275

Chain	Residue
F	ARG106

site_id	JC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 276

Chain	Residue
F	PHE143
F	GLN223
F	ILE224
F	PRO226
F	ACT286

site_id	JC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEO F 277

Chain	Residue
F	LYS144
F	GLU200

site_id	JC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PEO F 278

Chain	Residue
F	TRP64

site_id	JC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEO F 279

Chain	Residue
F	SER156
F	ASN159
F	GLN173

site_id	KC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL F 280

Chain	Residue
F	PHE143
F	ACT286
F	HOH818

site_id	KC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACT F 281

Chain	Residue
F	TRP28
F	SER94
F	MET95
F	VAL121
F	PHE125
F	PHE198
F	ILE224
F	ACT282

site_id	KC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT F 282

Chain	Residue
F	GLY27
F	TRP28
F	SER94
F	PHE162
F	HIS251
F	ACT281

site_id	KC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT F 283

Chain	Residue
F	ASP7
F	PRO63
F	TRP64
F	THR65
F	HOH320
F	HOH1092

site_id	KC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL F 284

Chain	Residue
D	LEU148
F	TYR37
F	GLU40
F	ALA258
F	ASN262
F	HOH619
F	HOH620

site_id	KC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GOL F 285

Chain	Residue
F	LEU30
F	ASP31
F	MET34
F	TYR163
F	GLN178
F	THR179
F	ILE182
F	VAL255
F	HOH325
F	HOH436
F	HOH810
F	HOH828

site_id	KC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT F 286

Chain	Residue
F	TRP28
F	PHE140
F	PHE143
F	PHE158
F	ILE224
F	GOL276
F	GOL280

site_id	KC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL F 287

Chain	Residue
F	ARG45

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1392
Details	Domain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	18
Details	Active site: {"evidences":[{"source":"PubMed","id":"15213385","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20112920","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3HI4","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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