5YCS

X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with triclosan

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	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	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	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	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	31
Details	binding site for residue NAD A 501

Chain	Residue
A	GLY13
A	VAL67
A	CYS93
A	ILE94
A	ALA95
A	LEU145
A	THR146
A	LYS164
A	ALA190
A	GLY191
A	PRO192
A	VAL14
A	ILE193
A	THR195
A	SER197
A	TCL502
A	HOH620
A	HOH643
A	HOH663
A	HOH676
A	HOH678
A	HOH698
A	ALA15
A	HOH724
A	HOH732
A	SER19
A	ILE20
A	ALA40
A	LEU44
A	CYS65
A	ASP66

---

site_id	AC2
Number of Residues	7
Details	binding site for residue TCL A 502

Chain	Residue
A	ALA95
A	ALA97
A	TYR147
A	TYR157
A	MET160
A	SER197
A	NAD501

---

site_id	AC3
Number of Residues	5
Details	binding site for residue SO4 A 503

Chain	Residue
A	ARG26
A	ASN30
A	HOH622
A	HOH669
A	HOH711

---

site_id	AC4
Number of Residues	30
Details	binding site for residue NAD B 301

Chain	Residue
B	GLY13
B	VAL14
B	ALA15
B	SER19
B	ILE20
B	ALA40
B	LEU44
B	CYS65
B	ASP66
B	VAL67
B	CYS93
B	ILE94
B	ALA95
B	ILE120
B	LEU145
B	THR146
B	LYS164
B	ALA190
B	PRO192
B	ILE193
B	THR195
B	SER197
B	TCL302
B	HOH434
B	HOH451
B	HOH472
B	HOH478
B	HOH483
B	HOH499
B	HOH512

---

site_id	AC5
Number of Residues	6
Details	binding site for residue TCL B 302

Chain	Residue
B	ALA97
B	TYR147
B	TYR157
B	MET160
B	SER197
B	NAD301

---

site_id	AC6
Number of Residues	31
Details	binding site for residue NAD C 301

Chain	Residue
C	ILE193
C	THR195
C	LEU196
C	SER197
C	TCL302
C	HOH417
C	HOH439
C	HOH458
C	HOH468
C	HOH476
C	HOH491
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	LYS164
C	ALA190
C	GLY191
C	PRO192

---

site_id	AC7
Number of Residues	6
Details	binding site for residue TCL C 302

Chain	Residue
C	ALA95
C	ALA97
C	TYR147
C	TYR157
C	SER197
C	NAD301

---

site_id	AC8
Number of Residues	4
Details	binding site for residue SO4 C 303

Chain	Residue
B	ARG239
C	THR222
C	GLU224
C	GLU225

---

site_id	AC9
Number of Residues	33
Details	binding site for residue NAD D 301

Chain	Residue
D	GLY13
D	VAL14
D	ALA15
D	SER19
D	ILE20
D	ALA40
D	LEU44
D	CYS65
D	ASP66
D	VAL67
D	CYS93
D	ILE94
D	ALA95
D	ILE120
D	LEU145
D	THR146
D	LYS164
D	ALA190
D	GLY191
D	PRO192
D	ILE193
D	THR195
D	LEU196
D	SER197
D	TCL302
D	HOH429
D	HOH464
D	HOH470
D	HOH471
D	HOH472
D	HOH487
D	HOH491
D	HOH533

---

site_id	AD1
Number of Residues	7
Details	binding site for residue TCL D 302

Chain	Residue
D	ALA95
D	ALA97
D	TYR147
D	TYR157
D	MET160
D	SER197
D	NAD301

---

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	TYR147
B	TYR147
C	TYR147
D	TYR147

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	TYR157
B	TYR157
C	TYR157
D	TYR157

---

site_id	SWS_FT_FI3
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269|PubMed:20800575

Chain	Residue	Details
A	GLY13
B	ILE94
B	LYS164
B	ILE193
C	GLY13
C	SER19
C	ASP66
C	ILE94
C	LYS164
C	ILE193
D	GLY13
A	SER19
D	SER19
D	ASP66
D	ILE94
D	LYS164
D	ILE193
A	ASP66
A	ILE94
A	LYS164
A	ILE193
B	GLY13
B	SER19
B	ASP66

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING:

Chain	Residue	Details
A	ALA97
B	ALA97
C	ALA97
D	ALA97

---

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

Chain	Residue	Details
A	ASN205
B	ASN205
C	ASN205
D	ASN205

---