Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3HEA

The L29P/L124I mutation of Pseudomonas fluorescens esterase

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	5
Details	BINDING SITE FOR RESIDUE GOL A 272

Chain	Residue
A	SER1
A	TYR12
A	ASP15
A	HOH377
C	GLN62

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 272

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

site_id	AC3
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	HOH337

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 273

Chain	Residue
D	SER1
D	TYR12
D	LYS14
D	ASP15
D	HOH343
E	ASP61
E	GLN62

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 272

Chain	Residue
E	SER1
E	TYR12
E	ASP15
E	HOH823
F	ASP61
F	GLN62

site_id	AC6
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	HOH511

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 273

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

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 272

Chain	Residue
B	LEU137
B	ALA141
B	LYS144
B	THR196
B	GLU200
B	HOH713

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 273

Chain	Residue
C	LEU137
C	LYS144
C	THR196
C	GLU200

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 273

Chain	Residue
E	LEU137
E	ALA141
E	LYS144
E	THR196
E	GLU200
E	HOH779

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL F 273

Chain	Residue
F	LEU137
F	ALA141
F	LYS144
F	GLU200

site_id	BC3
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	HOH364

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 274

Chain	Residue
D	LEU30
D	TYR163
D	VAL175
D	GLN178
D	THR179
D	ILE182
D	HOH299
D	HOH494
D	HOH975

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 274

Chain	Residue
E	TYR163
E	VAL175
E	GLN178
E	THR179
E	ILE182
E	HOH298
E	HOH615

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 274

Chain	Residue
A	TYR163
A	VAL175
A	GLN178
A	THR179
A	ILE182
A	HOH310
A	HOH587

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 274

Chain	Residue
B	HOH348
B	HOH914
B	LEU30
B	TYR163
B	VAL175
B	GLN178
B	THR179
B	ILE182
B	HOH294

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 274

Chain	Residue
C	LEU30
C	TYR163
C	VAL175
C	GLN178
C	THR179
C	ILE182
C	HOH301
C	HOH529
C	HOH552

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL F 274

Chain	Residue
F	TYR163
F	VAL175
F	GLN178
F	THR179
F	ILE182
F	HOH293
F	HOH521

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 275

Chain	Residue
E	LYS6
E	ASP74
E	GLN78
E	GLU81
E	HIS107
E	HOH281
E	HOH814

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 275

Chain	Residue
C	GLN223
C	ILE224

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 275

Chain	Residue
B	GLN223
B	ILE224

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL F 275

Chain	Residue
F	VAL245
F	LYS247
F	GLN260
F	HOH438

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL F 276

Chain	Residue
F	PHE143
F	GLN223
F	ILE224
F	PRO226

site_id	CC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL E 276

Chain	Residue
E	GLN223
E	ILE224

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 277

Chain	Residue
E	VAL245
E	TYR246
E	LYS247
E	GLN260
E	HOH903

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 275

Chain	Residue
A	ASN166
C	SER18
C	GLY19
C	HOH1039

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 276

Chain	Residue
C	VAL245
C	TYR246
C	LYS247
C	GLN260
C	HOH396

site_id	DC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 A 276

Chain	Residue
A	ARG106

site_id	DC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 276

Chain	Residue
B	ASP70
B	ARG106
B	HOH806

site_id	DC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 C 277

Chain	Residue
C	ARG106

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 277

Chain	Residue
A	VAL245
A	TYR246
A	LYS247
A	GLN260
A	HOH699

site_id	DC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 E 278

Chain	Residue
E	ASP70
E	ARG106

site_id	DC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 275

Chain	Residue
D	ARG106

site_id	DC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 278

Chain	Residue
A	PHE3
A	VAL4
A	HIS82
A	HOH1004
B	LYS247
B	ASP248

site_id	DC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 276

Chain	Residue
D	VAL245
D	TYR246
D	LYS247
D	GLN260
D	HOH1031

site_id	DC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 277

Chain	Residue
B	VAL245
B	TYR246
B	LYS247
B	GLN260
B	HOH822

site_id	EC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 F 277

Chain	Residue
F	ARG106
F	HOH920

site_id	EC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 278

Chain	Residue
B	HIS107
C	GLN173
C	HOH306
C	HOH780

site_id	EC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EEE A 300

Chain	Residue
A	GLY27
A	TRP28
A	PHE93
A	SER94
A	MET95
A	ILE224
A	HIS251

site_id	EC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EEE B 300

Chain	Residue
B	GLY27
B	TRP28
B	PHE93
B	SER94
B	MET95
B	ILE224
B	HIS251

site_id	EC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EEE C 300

Chain	Residue
C	GLY27
C	TRP28
C	PHE93
C	SER94
C	MET95
C	ILE224
C	HIS251

site_id	EC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EEE D 300

Chain	Residue
D	GLY27
D	TRP28
D	PHE93
D	SER94
D	MET95
D	ILE224
D	HIS251
D	HOH645

site_id	EC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EEE E 300

Chain	Residue
E	GLY27
E	TRP28
E	PHE93
E	SER94
E	MET95
E	ILE224
E	HIS251

site_id	EC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EEE F 300

Chain	Residue
F	GLY27
F	TRP28
F	PHE93
F	SER94
F	MET95
F	PHE198
F	ILE224
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)