Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3IA2

Pseudomonas fluorescens esterase complexed to the R-enantiomer of a sulfonate transition state analog

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 J6Z A 272

Chain	Residue
A	TRP28
A	SER94
A	MET95
A	PHE198
A	HIS251

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE J6Z B 272

Chain	Residue
B	PHE198
B	ILE224
B	HIS251
B	TRP28
B	SER94
B	MET95
B	VAL121

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE J6Z C 272

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

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE J6Z D 272

Chain	Residue
D	TRP28
D	SER94
D	MET95
D	PHE198
D	HIS251

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE J6Z E 272

Chain	Residue
E	TRP28
E	SER94
E	MET95
E	VAL121
E	PHE198
E	ILE224
E	HIS251

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE J6Z F 272

Chain	Residue
F	TRP28
F	SER94
F	MET95
F	PHE198
F	ILE224
F	HIS251

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 273

Chain	Residue
A	SER1
A	TYR12
A	LYS14
A	ASP15
A	HOH323
C	ASP61
C	GLN62

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 273

Chain	Residue
D	LEU137
D	ALA141
D	LYS144
D	THR196
D	GLU200
D	HOH883
D	HOH1003

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

Chain	Residue
B	ASP61
B	GLN62
C	SER1
C	TYR12
C	LYS14
C	ASP15
C	HOH299

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 274

Chain	Residue
D	SER1
D	TYR12
D	LYS14
D	ASP15
D	HOH300
E	ASP61
E	GLN62

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 273

Chain	Residue
E	SER1
E	TYR12
E	LYS14
E	ASP15
E	HOH334
F	ASP61
F	GLN62

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL F 273

Chain	Residue
D	ASP61
D	GLN62
F	SER1
F	TYR12
F	PHE13
F	LYS14
F	ASP15
F	HOH317

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 274

Chain	Residue
A	ALA141
A	LYS144
A	THR196
A	GLU200
A	HOH584

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL F 274

Chain	Residue
F	LEU30
F	TYR163
F	GLN178
F	THR179
F	VAL255
F	HOH546
F	HOH631
F	HOH873

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 273

Chain	Residue
B	LEU137
B	ALA141
B	LYS144
B	THR196
B	GLU200
B	HOH815

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 274

Chain	Residue
C	LEU137
C	ALA141
C	LYS144
C	THR196
C	GLU200
C	HOH723

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 274

Chain	Residue
E	LEU137
E	ALA141
E	LYS144
E	THR196
E	GLU200
E	HOH730

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 275

Chain	Residue
F	LEU137
F	LYS144
F	THR196
F	GLU200
F	HOH461

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 274

Chain	Residue
A	ASP61
A	GLN62
B	SER1
B	TYR12
B	LYS14
B	ASP15
B	HOH298

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 275

Chain	Residue
D	TYR163
D	VAL175
D	GLN178
D	THR179
D	HOH362

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 275

Chain	Residue
C	TYR163
C	VAL175
C	GLN178
C	THR179
C	ILE182
C	HOH500

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 275

Chain	Residue
E	LEU30
E	TYR163
E	VAL175
E	GLN178
E	THR179
E	HOH429

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 275

Chain	Residue
A	TYR163
A	GLN178
A	THR179
A	HOH373
A	HOH618

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 275

Chain	Residue
B	TYR163
B	GLN178
B	THR179
B	ILE182
B	HOH310
B	HOH420

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL E 276

Chain	Residue
E	LYS6
E	GLU81
E	HIS107
E	HOH1029
E	HOH1228

site_id	CC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL F 276

Chain	Residue
F	GLN223
F	ILE224

site_id	CC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 276

Chain	Residue
A	GLN223
A	ILE224

site_id	DC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 276

Chain	Residue
B	GLN223
B	ILE224

site_id	DC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 276

Chain	Residue
C	GLN223
C	ILE224
C	PRO226

site_id	DC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL D 276

Chain	Residue
D	GLN223
D	ILE224

site_id	DC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL E 277

Chain	Residue
E	VAL135
E	GLN223
E	ILE224
E	PRO226

site_id	DC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 E 278

Chain	Residue
E	ARG106

site_id	DC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 A 277

Chain	Residue
A	ARG106

site_id	DC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 277

Chain	Residue
B	ASP70
B	ARG106

site_id	DC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 C 277

Chain	Residue
C	ARG106

site_id	DC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 277

Chain	Residue
D	ARG106

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)