Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3T4U

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	HOH530
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	6
Details	BINDING SITE FOR RESIDUE GOL A 275

Chain	Residue
A	ALA141
A	LYS144
A	THR196
A	GLU200
A	HOH1017
A	HOH1273

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL A 276

Chain	Residue
A	LEU30
A	ASP33
A	MET34
A	TYR163
A	VAL175
A	GLN178
A	THR179
A	ILE182
A	HOH761
A	HOH988
A	HOH1061

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 278

Chain	Residue
A	PHE143
A	GLN223
A	ILE224

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 279

Chain	Residue
A	TRP28
A	SER94
A	PHE162
A	HIS251

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 272

Chain	Residue
B	ALA141
B	LYS144
B	THR196
B	GLU200
B	HOH1088

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 273

Chain	Residue
A	ASP61
A	GLN62
B	SER1
B	TYR12
B	LYS14
B	ASP15
B	HOH295

site_id	BC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 B 274

Chain	Residue
B	ARG106

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 275

Chain	Residue
B	LYS247
B	GLN260

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA B 276

Chain	Residue
B	TRP28
B	SER94
B	HIS251
B	HOH1124

site_id	BC4
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	HOH289

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 273

Chain	Residue
C	LEU137
C	ALA141
C	LYS144
C	THR196
C	ALA199
C	GLU200

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 274

Chain	Residue
C	VAL245
C	TYR246
C	LYS247
C	GLN260
C	HOH712

site_id	BC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 C 275

Chain	Residue
C	ARG106

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

Chain	Residue
C	ARG45

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 277

Chain	Residue
C	TYR163
C	GLN178
C	THR179
C	ILE182
C	VAL255
C	HOH439
C	HOH920
C	HOH964

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 278

Chain	Residue
A	ASN166
C	SER18
C	GLY19

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 279

Chain	Residue
C	GLN223
C	ILE224

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 280

Chain	Residue
C	TRP28
C	SER94
C	PHE162
C	HIS251

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 272

Chain	Residue
D	LEU137
D	ALA141
D	LYS144
D	THR196
D	GLU200
D	HOH614

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 273

Chain	Residue
D	LYS14
D	ASP15
D	HOH397
E	ASP61
E	GLN62
D	SER1
D	TYR12
D	PHE13

site_id	CC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 274

Chain	Residue
D	ARG106
D	HOH1217

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 275

Chain	Residue
D	VAL245
D	TYR246
D	LYS247
D	GLN260
D	HOH371

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 276

Chain	Residue
D	TYR163
D	VAL175
D	GLN178
D	THR179
D	HOH529

site_id	CC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL D 277

Chain	Residue
D	GLY240

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA D 278

Chain	Residue
D	TRP28
D	SER94
D	HIS251
D	HOH1131

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 272

Chain	Residue
E	SER1
E	TYR12
E	ASP15
F	ASP61
F	GLN62
F	HOH827

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL E 273

Chain	Residue
E	LEU137
E	ALA141
E	LYS144
E	GLU200

site_id	DC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 E 274

Chain	Residue
E	ARG106

site_id	DC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL E 275

Chain	Residue
E	LYS247
E	GLN260

site_id	DC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 276

Chain	Residue
E	ASP74
E	GLN78
E	GLU81
E	HIS107
E	HOH1052
E	HOH1167

site_id	DC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GOL E 277

Chain	Residue
E	LEU30
E	MET34
E	TYR163
E	VAL175
E	GLN178
E	THR179
E	ILE182
E	VAL255
E	HOH319
E	HOH893
E	HOH1059
E	HOH1104

site_id	DC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL E 278

Chain	Residue
E	PHE158
E	GLN223
E	ILE224

site_id	DC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA E 279

Chain	Residue
E	TRP28
E	SER94
E	PHE162
E	HIS251
E	HOH1130

site_id	EC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL F 272

Chain	Residue
D	GLN62
D	HOH316
F	SER1
F	TYR12
F	LYS14
F	ASP15

site_id	EC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 273

Chain	Residue
F	VAL245
F	TYR246
F	LYS247
F	GLN260
F	HOH537

site_id	EC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 F 274

Chain	Residue
E	GLY168
F	ARG106
F	HOH1259

site_id	EC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 275

Chain	Residue
F	VAL135
F	PHE143
F	GLN223
F	ILE224
F	HOH1163

site_id	EC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 276

Chain	Residue
F	LEU137
F	ALA141
F	LYS144
F	THR196
F	GLU200

site_id	EC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL F 277

Chain	Residue
F	LEU30
F	TYR163
F	GLN178
F	THR179
F	ILE182
F	VAL255
F	HOH314
F	HOH431
F	HOH783

site_id	EC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA F 278

Chain	Residue
F	TRP28
F	SER94
F	PHE162
F	HIS251

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)