4CV0

Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
A	0006633	biological_process	fatty acid biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0042802	molecular_function	identical protein binding
A	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
B	0000166	molecular_function	nucleotide binding
B	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
B	0006633	biological_process	fatty acid biosynthetic process
B	0016491	molecular_function	oxidoreductase activity
B	0042802	molecular_function	identical protein binding
B	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
C	0000166	molecular_function	nucleotide binding
C	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
C	0006633	biological_process	fatty acid biosynthetic process
C	0016491	molecular_function	oxidoreductase activity
C	0042802	molecular_function	identical protein binding
C	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
D	0000166	molecular_function	nucleotide binding
D	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
D	0006633	biological_process	fatty acid biosynthetic process
D	0016491	molecular_function	oxidoreductase activity
D	0042802	molecular_function	identical protein binding
D	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP A 1257

Chain	Residue
A	GLY13
A	ASP66
A	VAL67
A	SER93
A	ILE94
A	ALA95
A	ILE120
A	THR145
A	THR146
A	TYR147
A	LYS164
A	ILE14
A	ALA190
A	PRO192
A	ILE193
A	THR195
A	SER197
A	PT61258
A	HOH2006
A	HOH2007
A	HOH2056
A	ALA15
A	SER19
A	ILE20
A	ARG40
A	LYS41
A	SER44
A	ILE65

---

site_id	AC2
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP B 1257

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	THR145
B	THR146
B	TYR147
B	LYS164
B	ALA190
B	GLY191
B	PRO192
B	ILE193
B	THR195
B	SER197
B	PT61258
B	HOH2012
B	HOH2013
B	HOH2014

---

site_id	AC3
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NDP C 1257

Chain	Residue
C	GLY13
C	ILE14
C	ALA15
C	SER19
C	ILE20
C	ARG40
C	LYS41
C	SER44
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	LEU196
C	SER197
C	PHE204
C	PT61258
C	HOH2004
C	HOH2005
C	HOH2006

---

site_id	AC4
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP D 1257

Chain	Residue
D	ILE94
D	ALA95
D	ILE120
D	THR145
D	THR146
D	TYR147
D	LYS164
D	ALA190
D	PRO192
D	ILE193
D	THR195
D	SER197
D	PT61258
D	HOH2010
D	HOH2011
D	HOH2029
D	GLY13
D	ILE14
D	ALA15
D	SER19
D	ILE20
D	ARG40
D	LYS41
D	SER44
D	ILE65
D	ASP66
D	VAL67
D	SER93

---

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PT6 A 1258

Chain	Residue
A	ALA95
A	PHE96
A	ALA97
A	TYR147
A	VAL154
A	GLN155
A	TYR157
A	MET160
A	SER197
A	NDP1257

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PT6 D 1258

Chain	Residue
D	ALA95
D	PHE96
D	ALA97
D	TYR147
D	GLN155
D	TYR157
D	MET160
D	SER197
D	PHE204
D	NDP1257

---

site_id	AC7
Number of Residues	14
Details	BINDING SITE FOR RESIDUE PT6 C 1258

Chain	Residue
C	ALA95
C	PHE96
C	ALA97
C	TYR147
C	GLN155
C	TYR157
C	MET160
C	SER197
C	VAL201
C	GLY202
C	GLY203
C	PHE204
C	ILE207
C	NDP1257

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PT6 B 1258

Chain	Residue
B	ALA95
B	PHE96
B	ALA97
B	TYR147
B	GLN155
B	TYR157
B	SER197
B	GLY202
B	ILE207
B	NDP1257

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1259

Chain	Residue
B	VAL201
B	GLY202
B	GLY203
B	PHE204
B	ASN205
B	THR206

---

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 C 1259

Chain	Residue
B	ARG40
B	LYS41
C	VAL201
C	GLY202
C	GLY203
C	PHE204
C	ASN205
C	THR206

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1259

Chain	Residue
A	VAL201
A	GLY202
A	GLY203
A	PHE204
A	ASN205
A	THR206

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D 1259

Chain	Residue
D	ALA60
D	HIS61
D	LEU62
D	TYR63

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 1260

Chain	Residue
B	GLY140
B	ASN182
B	ARG184

---