3OJF

Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form)

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	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0030497	biological_process	fatty acid elongation
A	0036094	molecular_function	small molecule binding
A	0042802	molecular_function	identical protein binding
A	0070401	molecular_function	NADP+ binding
A	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
A	1902494	cellular_component	catalytic complex
B	0000166	molecular_function	nucleotide binding
B	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0016491	molecular_function	oxidoreductase activity
B	0030497	biological_process	fatty acid elongation
B	0036094	molecular_function	small molecule binding
B	0042802	molecular_function	identical protein binding
B	0070401	molecular_function	NADP+ binding
B	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
B	1902494	cellular_component	catalytic complex
C	0000166	molecular_function	nucleotide binding
C	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0016491	molecular_function	oxidoreductase activity
C	0030497	biological_process	fatty acid elongation
C	0036094	molecular_function	small molecule binding
C	0042802	molecular_function	identical protein binding
C	0070401	molecular_function	NADP+ binding
C	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
C	1902494	cellular_component	catalytic complex
D	0000166	molecular_function	nucleotide binding
D	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006633	biological_process	fatty acid biosynthetic process
D	0016491	molecular_function	oxidoreductase activity
D	0030497	biological_process	fatty acid elongation
D	0036094	molecular_function	small molecule binding
D	0042802	molecular_function	identical protein binding
D	0070401	molecular_function	NADP+ binding
D	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
D	1902494	cellular_component	catalytic complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE IMJ A 801

Chain	Residue
A	PHE96
A	ALA97
A	TYR147
A	VAL154
A	TYR157
A	SER197
A	HOH271
A	NDP501

---

site_id	AC2
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NDP A 501

Chain	Residue
A	ALA15
A	SER19
A	ILE20
A	ALA40
A	LEU44
A	CYS65
A	ASP66
A	VAL67
A	CYS93
A	ILE94
A	ALA95
A	ILE120
A	LEU145
A	THR146
A	TYR147
A	LYS164
A	ALA190
A	GLY191
A	PRO192
A	ILE193
A	THR195
A	LEU196
A	SER197
A	HOH267
A	HOH313
A	HOH314
A	HOH315
A	HOH325
A	IMJ801
A	GLY13

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE IMJ D 802

Chain	Residue
D	PHE96
D	ALA97
D	TYR147
D	ASN156
D	TYR157
D	PRO192
D	SER197
D	VAL201
D	HOH272
D	NDP502

---

site_id	AC4
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NDP D 502

Chain	Residue
D	GLY13
D	ALA15
D	SER19
D	ILE20
D	ALA40
D	ARG43
D	LEU44
D	CYS65
D	ASP66
D	VAL67
D	CYS93
D	ILE94
D	ALA95
D	ILE120
D	LEU145
D	THR146
D	TYR147
D	LYS164
D	ALA190
D	GLY191
D	PRO192
D	ILE193
D	THR195
D	SER197
D	HOH270
D	HOH273
D	HOH337
D	HOH338
D	HOH339
D	HOH340
D	IMJ802

---

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE IMJ B 803

Chain	Residue
B	PHE96
B	ALA97
B	ARG99
B	TYR147
B	TYR157
B	SER197
B	VAL201
B	HOH291
B	HOH300
B	NDP503

---

site_id	AC6
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NDP B 503

Chain	Residue
B	ALA95
B	ILE120
B	LEU145
B	THR146
B	LYS164
B	ALA190
B	GLY191
B	PRO192
B	ILE193
B	THR195
B	LEU196
B	SER197
B	HOH264
B	HOH282
B	HOH286
B	HOH287
B	IMJ803
B	GLY13
B	ALA15
B	SER19
B	ILE20
B	LEU44
B	CYS65
B	ASP66
B	VAL67
B	CYS93
B	ILE94

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE IMJ C 804

Chain	Residue
C	PHE96
C	ALA97
C	TYR147
C	ASN156
C	TYR157
C	PRO192
C	SER197
C	HOH307
C	NDP504

---

site_id	AC8
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NDP C 504

Chain	Residue
C	GLY13
C	VAL14
C	ALA15
C	SER19
C	ILE20
C	ALA40
C	LEU44
C	CYS65
C	ASP66
C	VAL67
C	CYS93
C	ILE94
C	ALA95
C	ILE120
C	LEU145
C	THR146
C	TYR147
C	LYS164
C	ALA190
C	GLY191
C	PRO192
C	ILE193
C	THR195
C	LEU196
C	SER197
C	HOH269
C	HOH296
C	HOH310
C	HOH312
C	IMJ804

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20800575","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Site: {"description":"Involved in acyl-ACP binding","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---