Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4CV1

Crystal structure of S. aureus FabI in complex with NADPH and CG400549

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
A	0006633	biological_process	fatty acid biosynthetic process
B	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
B	0006633	biological_process	fatty acid biosynthetic process
C	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
C	0006633	biological_process	fatty acid biosynthetic process
D	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
D	0006633	biological_process	fatty acid biosynthetic process
E	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
E	0006633	biological_process	fatty acid biosynthetic process
F	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
F	0006633	biological_process	fatty acid biosynthetic process
G	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
G	0006633	biological_process	fatty acid biosynthetic process
H	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
H	0006633	biological_process	fatty acid biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 1257

Chain	Residue
A	GLY202
A	GLY203
A	PHE204
A	ASN205
A	THR206
A	HOH2057
A	HOH2116

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 H 1358

Chain	Residue
H	PHE204
H	ASN205
H	THR206
H	HOH2040
H	HOH3135
H	GLY202
H	GLY203

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 1259

Chain	Residue
A	SER69
A	ASP70
A	GLU71
A	HOH2036
C	ARG18
C	ARG194
C	LYS199

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 1257

Chain	Residue
B	GLY202
B	GLY203
B	PHE204
B	ASN205
B	THR206

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 E 1257

Chain	Residue
E	VAL201
E	GLY202
E	GLY203
E	PHE204
E	ASN205
E	THR206
E	HOH2115

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 1258

Chain	Residue
B	GLY140
B	ASN182
B	ARG184

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO H 1257

Chain	Residue
H	GLY140
H	ASN182
H	ARG184

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO G 1257

Chain	Residue
G	GLY202
G	GLY203
G	PHE204
G	ASN205
G	THR206

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO G 1358

Chain	Residue
C	ASN56
G	ALA0

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1270

Chain	Residue
A	HOH2051
D	GLY203
D	PHE204
D	ASN205
D	THR206

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 1270

Chain	Residue
C	GLY140
C	ASN182
C	ARG184

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL F 1357

Chain	Residue
F	ARG40
F	ARG43

site_id	BC4
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NDP A 1260

Chain	Residue
A	GLY13
A	ILE14
A	ALA15
A	SER19
A	ILE20
A	ARG40
A	ILE65
A	ASP66
A	VAL67
A	SER93
A	ILE94
A	ALA95
A	ILE120
A	THR145
A	THR146
A	TYR147
A	LYS164
A	ALA190
A	GLY191
A	PRO192
A	ILE193
A	THR195
A	SER197
A	PT61261
A	HOH2004
A	HOH2006
A	HOH2019

site_id	BC5
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NDP H 1258

Chain	Residue
H	TYR147
H	LYS164
H	ALA190
H	PRO192
H	ILE193
H	THR195
H	SER197
H	PT61259
H	HOH2005
H	HOH2006
H	HOH2008
H	GLY13
H	ILE14
H	ALA15
H	SER19
H	ILE20
H	ARG40
H	LYS41
H	ILE65
H	ASP66
H	VAL67
H	SER93
H	ILE94
H	ALA95
H	ILE120
H	THR145
H	THR146

site_id	BC6
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP G 1259

Chain	Residue
G	GLY13
G	ILE14
G	ALA15
G	SER19
G	ILE20
G	ARG40
G	LYS41
G	SER44
G	ILE65
G	ASP66
G	VAL67
G	SER93
G	ILE94
G	ALA95
G	ILE120
G	THR145
G	THR146
G	TYR147
G	LYS164
G	ALA190
G	PRO192
G	ILE193
G	THR195
G	SER197
G	PT61260
G	HOH2004
G	HOH2005
G	HOH2006

site_id	BC7
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NDP F 1258

Chain	Residue
F	GLY13
F	ILE14
F	ALA15
F	SER19
F	ILE20
F	ARG40
F	LYS41
F	ILE65
F	ASP66
F	VAL67
F	SER93
F	ILE94
F	ALA95
F	ILE120
F	THR145
F	THR146
F	TYR147
F	LYS164
F	ALA190
F	PRO192
F	ILE193
F	THR195
F	SER197
F	PHE204
F	PT61259
F	HOH2005
F	HOH2006
F	HOH2008
F	HOH2019
F	HOH2111

site_id	BC8
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NDP E 1259

Chain	Residue
E	GLY13
E	ALA15
E	SER19
E	ILE20
E	ARG40
E	LYS41
E	ILE65
E	ASP66
E	VAL67
E	SER93
E	ILE94
E	ALA95
E	ILE120
E	THR145
E	THR146
E	TYR147
E	LYS164
E	ALA190
E	GLY191
E	PRO192
E	ILE193
E	THR195
E	SER197
E	PT61260
E	HOH2006
E	HOH2007
E	HOH2008
E	HOH2009
E	HOH2010
E	HOH2022
E	HOH2138

site_id	BC9
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NDP D 1257

Chain	Residue
D	GLY13
D	ILE14
D	ALA15
D	SER19
D	ILE20
D	ARG40
D	LYS41
D	ILE65
D	ASP66
D	VAL67
D	SER93
D	ILE94
D	ALA95
D	ILE120
D	THR145
D	THR146
D	TYR147
D	LYS164
D	ALA190
D	GLY191
D	PRO192
D	ILE193
D	THR195
D	SER197
D	PT61258
D	HOH2003
D	HOH2004
D	HOH2005
D	HOH2087

site_id	CC1
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NDP C 1258

Chain	Residue
C	GLY13
C	ILE14
C	ALA15
C	SER19
C	ILE20
C	ARG40
C	ILE65
C	ASP66
C	VAL67
C	SER93
C	ILE94
C	ALA95
C	ILE120
C	THR145
C	THR146
C	TYR147
C	LYS164
C	ALA190
C	GLY191
C	PRO192
C	ILE193
C	THR195
C	SER197
C	PT61259
C	HOH2014
C	HOH2016
C	HOH2017
C	HOH2030
C	HOH2031

site_id	CC2
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NDP B 1259

Chain	Residue
B	GLY13
B	ILE14
B	ALA15
B	SER19
B	ILE20
B	ARG40
B	LYS41
B	SER44
B	ILE65
B	ASP66
B	VAL67
B	SER93
B	ILE94
B	ALA95
B	ILE120
B	THR145
B	THR146
B	TYR147
B	LYS164
B	ALA190
B	GLY191
B	PRO192
B	ILE193
B	THR195
B	LEU196
B	SER197
B	PT61260
B	HOH2008
B	HOH2009
B	HOH2010
B	HOH2011

site_id	CC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE PT6 A 1261

Chain	Residue
A	ALA95
A	PHE96
A	ALA97
A	LEU102
A	TYR147
A	GLN155
A	TYR157
A	MET160
A	SER197
A	VAL201
A	GLY202
A	PHE204
A	ILE207
A	NDP1260

site_id	CC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PT6 B 1260

Chain	Residue
B	ALA95
B	PHE96
B	ALA97
B	LEU102
B	TYR147
B	GLN155
B	TYR157
B	SER197
B	PHE204
B	NDP1259

site_id	CC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PT6 C 1259

Chain	Residue
C	ALA95
C	PHE96
C	ALA97
C	TYR147
C	VAL154
C	GLN155
C	TYR157
C	MET160
C	SER197
C	PHE204
C	ILE207
C	NDP1258

site_id	CC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE PT6 D 1258

Chain	Residue
D	ALA95
D	PHE96
D	ALA97
D	LEU102
D	TYR147
D	GLN155
D	TYR157
D	SER197
D	PHE204
D	ILE207
D	NDP1257

site_id	CC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PT6 E 1260

Chain	Residue
E	ALA95
E	PHE96
E	ALA97
E	MET99
E	TYR147
E	GLN155
E	TYR157
E	SER197
E	PHE204
E	NDP1259

site_id	CC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE PT6 F 1259

Chain	Residue
F	ALA95
F	PHE96
F	ALA97
F	LEU102
F	TYR147
F	GLN155
F	TYR157
F	MET160
F	SER197
F	VAL201
F	GLY202
F	PHE204
F	ILE207
F	NDP1258

site_id	CC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE PT6 G 1260

Chain	Residue
G	ALA95
G	PHE96
G	ALA97
G	MET99
G	LEU102
G	TYR147
G	GLN155
G	TYR157
G	MET160
G	SER197
G	GLY202
G	PHE204
G	ILE207
G	NDP1259

site_id	DC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PT6 H 1259

Chain	Residue
H	ALA95
H	PHE96
H	ALA97
H	LEU102
H	TYR147
H	GLN155
H	TYR157
H	MET160
H	SER197
H	GLY202
H	PHE204
H	NDP1258

site_id	DC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO E 1261

Chain	Residue
E	GLU42
E	ARG43
F	ARG103

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