3OIF

Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and TCL)

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
A	0016491	molecular_function	oxidoreductase activity
A	0030497	biological_process	fatty acid elongation
A	0070417	biological_process	cellular response to cold
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	0030497	biological_process	fatty acid elongation
B	0070417	biological_process	cellular response to cold
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	0030497	biological_process	fatty acid elongation
C	0070417	biological_process	cellular response to cold
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	0030497	biological_process	fatty acid elongation
D	0070417	biological_process	cellular response to cold

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD A 501

Chain	Residue
A	GLY14
A	VAL68
A	CYS94
A	ILE95
A	ALA96
A	LEU146
A	THR147
A	TYR148
A	LYS165
A	ALA191
A	PRO193
A	VAL15
A	ILE194
A	THR196
A	LEU197
A	SER198
A	HOH298
A	TCL502
A	ALA16
A	SER20
A	ILE21
A	ALA41
A	LEU45
A	CYS66
A	ASP67

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TCL A 502

Chain	Residue
A	ALA96
A	ALA98
A	TYR148
A	TYR158
A	MET161
A	SER198
A	ILE202
A	NAD501

---

site_id	AC3
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAD D 601

Chain	Residue
D	GLY14
D	VAL15
D	SER20
D	ILE21
D	ALA41
D	LEU45
D	CYS66
D	ASP67
D	VAL68
D	THR69
D	CYS94
D	ILE95
D	ALA96
D	LEU146
D	THR147
D	TYR148
D	LYS165
D	ALA191
D	GLY192
D	PRO193
D	ILE194
D	THR196
D	LEU197
D	SER198
D	HOH290
D	HOH294
D	TCL602

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TCL D 602

Chain	Residue
D	ALA96
D	ALA98
D	TYR148
D	TYR158
D	MET161
D	SER198
D	NAD601

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	TYR148
B	TYR148
C	TYR148
D	TYR148

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	TYR158
B	TYR158
C	TYR158
D	TYR158

---

site_id	SWS_FT_FI3
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269|PubMed:21185310

Chain	Residue	Details
A	GLY14
B	ILE95
B	LYS165
B	ILE194
C	GLY14
C	SER20
C	ASP67
C	ILE95
C	LYS165
C	ILE194
D	GLY14
A	SER20
D	SER20
D	ASP67
D	ILE95
D	LYS165
D	ILE194
A	ASP67
A	ILE95
A	LYS165
A	ILE194
B	GLY14
B	SER20
B	ASP67

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	ALA98
B	ALA98
C	ALA98
D	ALA98

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	SITE: Involved in acyl-ACP binding => ECO:0000250

Chain	Residue	Details
A	ASN206
B	ASN206
C	ASN206
D	ASN206

---