Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3HI4

Switching catalysis from hydrolysis to perhydrolysis in P. 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	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	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	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	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	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	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 ACT A 272

Chain	Residue
A	TRP28
A	SER94
A	MET95
A	VAL121
A	HOH278

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	8
Details	BINDING SITE FOR RESIDUE GOL A 274

Chain	Residue
A	LYS14
A	ASP15
C	ASP61
C	GLN62
C	HOH659
A	SER1
A	TYR12
A	PHE13

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 275

Chain	Residue
A	LEU137
A	ALA141
A	LYS144
A	GLU200
A	HOH289

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 276

Chain	Residue
A	LEU30
A	TYR163
A	VAL175
A	GLN178
A	THR179
A	HOH311

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT B 272

Chain	Residue
B	TRP28
B	SER94
B	MET95
B	VAL121
B	PHE198
B	HOH277

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 273

Chain	Residue
B	ARG106
B	HOH602

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 274

Chain	Residue
B	LEU137
B	LYS144
B	THR196
B	GLU200
B	HOH535
B	HOH548

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 275

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

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 276

Chain	Residue
B	TYR163
B	GLN178
B	THR179
B	ILE182
B	HOH291

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT C 272

Chain	Residue
C	TRP28
C	SER94
C	MET95
C	VAL121
C	HOH279

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 C 273

Chain	Residue
C	ARG106

site_id	BC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACT C 274

Chain	Residue
C	ILE224

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 275

Chain	Residue
B	ASP61
B	GLN62
C	SER1
C	TYR12
C	PHE13
C	LYS14
C	ASP15
C	HOH913

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 276

Chain	Residue
C	LEU137
C	LYS144
C	GLU200
C	HOH752

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 277

Chain	Residue
C	LEU30
C	TYR163
C	GLN178
C	THR179
C	ILE182

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 278

Chain	Residue
A	ASN166
C	GLY19

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT D 272

Chain	Residue
D	TRP28
D	SER94
D	MET95
D	VAL121
D	PHE198
D	HOH277

site_id	CC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 273

Chain	Residue
D	ARG106

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 274

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

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

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

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 276

Chain	Residue
D	HOH293
D	HOH419
D	TYR163
D	VAL175
D	GLN178
D	THR179
D	ILE182

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT E 272

Chain	Residue
E	TRP28
E	SER94
E	MET95
E	VAL121
E	HOH278

site_id	CC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 E 273

Chain	Residue
E	ARG106

site_id	CC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACT E 274

Chain	Residue
E	ILE224

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL E 275

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

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 276

Chain	Residue
E	LEU137
E	ALA141
E	LYS144
E	THR196
E	GLU200
E	HOH284

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 277

Chain	Residue
E	TYR163
E	GLN178
E	THR179
E	ILE182
E	HOH332
E	HOH481

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT F 272

Chain	Residue
F	TRP28
F	SER94
F	MET95
F	VAL121
F	PHE198
F	HOH279

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT F 273

Chain	Residue
F	VAL245
F	LYS247
F	GLN260
F	HOH590

site_id	DC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT F 274

Chain	Residue
F	GLN223
F	ILE224

site_id	DC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL F 275

Chain	Residue
D	ASP61
D	GLN62
F	SER1
F	TYR12
F	PHE13
F	LYS14
F	ASP15
F	HOH294

site_id	DC6
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	DC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 277

Chain	Residue
F	SER156
F	ASN159
F	GLN176
F	HOH418
F	HOH1034

site_id	DC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 278

Chain	Residue
F	TYR163
F	GLN178
F	ILE182
F	HOH330
F	HOH982

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	ACT_SITE: ACT_SITE => ECO:0000305\|PubMed:15213385

Chain	Residue	Details
A	SER94
D	SER94
D	ASP222
D	HIS251
E	SER94
E	ASP222
E	HIS251
F	SER94
F	ASP222
F	HIS251
A	ASP222
A	HIS251
B	SER94
B	ASP222
B	HIS251
C	SER94
C	ASP222
C	HIS251

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:20112920, ECO:0007744\|PDB:3HI4

Chain	Residue	Details
A	TRP28
E	MET95
F	TRP28
F	MET95
A	MET95
B	TRP28
B	MET95
C	TRP28
C	MET95
D	TRP28
D	MET95
E	TRP28

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