4NR0

Crystal structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrier Protein Reductase (FabI) in complex with NAD+ and triclosan

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	0042802	molecular_function	identical protein 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	0030497	biological_process	fatty acid elongation
B	0042802	molecular_function	identical protein 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	0030497	biological_process	fatty acid elongation
C	0042802	molecular_function	identical protein 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	0030497	biological_process	fatty acid elongation
D	0042802	molecular_function	identical protein binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD A 301

Chain	Residue
A	GLY13
A	VAL67
A	SER93
A	VAL94
A	GLY95
A	ILE121
A	LEU147
A	SER148
A	LYS166
A	ALA192
A	GLY193
A	VAL14
A	PRO194
A	ILE195
A	THR197
A	LEU198
A	ALA199
A	TCL302
A	HOH401
A	HOH420
A	HOH432
A	HOH433
A	ALA15
A	HOH438
A	HOH442
A	HOH529
A	SER19
A	ILE20
A	GLN40
A	LEU44
A	CYS65
A	ASP66

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TCL A 302

Chain	Residue
A	GLY95
A	ALA97
A	LEU102
A	TYR149
A	TYR159
A	ALA199
A	NAD301

---

site_id	AC3
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAD B 301

Chain	Residue
B	GLY13
B	VAL14
B	ALA15
B	SER19
B	ILE20
B	GLN40
B	LEU44
B	CYS65
B	ASP66
B	VAL67
B	SER93
B	VAL94
B	GLY95
B	ILE121
B	LEU147
B	SER148
B	TYR149
B	LYS166
B	ALA192
B	GLY193
B	PRO194
B	ILE195
B	THR197
B	LEU198
B	ALA199
B	TCL302
B	HOH401
B	HOH416
B	HOH438
B	HOH449
B	HOH450
B	HOH451
B	HOH522

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE TCL B 302

Chain	Residue
B	GLY95
B	ALA97
B	TYR149
B	TYR159
B	ALA199
B	NAD301

---

site_id	AC5
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD C 301

Chain	Residue
C	ILE195
C	THR197
C	LEU198
C	ALA199
C	TCL302
C	HOH410
C	HOH426
C	HOH433
C	HOH450
C	HOH452
C	HOH467
C	GLY13
C	VAL14
C	ALA15
C	SER19
C	ILE20
C	GLN40
C	LEU44
C	CYS65
C	ASP66
C	VAL67
C	SER93
C	VAL94
C	GLY95
C	ILE121
C	LEU147
C	SER148
C	TYR149
C	LYS166
C	ALA192
C	GLY193
C	PRO194

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TCL C 302

Chain	Residue
C	GLY95
C	ALA97
C	LEU102
C	TYR149
C	TYR159
C	ALA199
C	MET209
C	NAD301

---

site_id	AC7
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD D 301

Chain	Residue
D	GLY13
D	VAL14
D	ALA15
D	SER19
D	ILE20
D	GLN40
D	LEU44
D	CYS65
D	ASP66
D	VAL67
D	SER93
D	VAL94
D	GLY95
D	ILE121
D	LEU147
D	SER148
D	LYS166
D	ALA192
D	GLY193
D	PRO194
D	ILE195
D	THR197
D	LEU198
D	ALA199
D	TCL302
D	HOH419
D	HOH420
D	HOH421
D	HOH423
D	HOH448
D	HOH453
D	HOH551

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TCL D 302

Chain	Residue
D	GLY95
D	ALA97
D	LEU102
D	TYR149
D	TYR159
D	ALA199
D	ALA200
D	NAD301

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	TYR149
A	TYR159
B	TYR149
B	TYR159
C	TYR149
C	TYR159
D	TYR149
D	TYR159

---

site_id	SWS_FT_FI2
Number of Residues	32
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	GLY13
B	SER19
B	GLN40
B	ASP66
B	VAL94
B	ALA97
B	LYS166
B	ILE195
C	GLY13
C	SER19
C	GLN40
A	SER19
C	ASP66
C	VAL94
C	ALA97
C	LYS166
C	ILE195
D	GLY13
D	SER19
D	GLN40
D	ASP66
D	VAL94
A	GLN40
D	ALA97
D	LYS166
D	ILE195
A	ASP66
A	VAL94
A	ALA97
A	LYS166
A	ILE195
B	GLY13

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	SITE: Involved in acyl-ACP binding => ECO:0000250

Chain	Residue	Details
A	LYS204
D	LYS204
D	ARG207
D	LYS208
A	ARG207
A	LYS208
B	LYS204
B	ARG207
B	LYS208
C	LYS204
C	ARG207
C	LYS208

---