6OKF

Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
A	0044281	biological_process	small molecule metabolic process
A	1903966	biological_process	monounsaturated fatty acid biosynthetic process
B	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016746	molecular_function	acyltransferase activity
B	0044281	biological_process	small molecule metabolic process
B	1903966	biological_process	monounsaturated fatty acid biosynthetic process
C	0000035	molecular_function	acyl binding
C	0000036	molecular_function	acyl carrier activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0008289	molecular_function	lipid binding
C	0008610	biological_process	lipid biosynthetic process
C	0009245	biological_process	lipid A biosynthetic process
C	0009410	biological_process	response to xenobiotic stimulus
C	0016020	cellular_component	membrane
C	0031177	molecular_function	phosphopantetheine binding
D	0000035	molecular_function	acyl binding
D	0000036	molecular_function	acyl carrier activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006633	biological_process	fatty acid biosynthetic process
D	0008289	molecular_function	lipid binding
D	0008610	biological_process	lipid biosynthetic process
D	0009245	biological_process	lipid A biosynthetic process
D	0009410	biological_process	response to xenobiotic stimulus
D	0016020	cellular_component	membrane
D	0031177	molecular_function	phosphopantetheine binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue NA A 501

Chain	Residue
A	ASN296
A	SER297
A	GLU342
A	SER387
A	ASN388

---

site_id	AC2
Number of Residues	5
Details	binding site for residue NA B 501

Chain	Residue
B	ASN388
B	ASN296
B	SER297
B	GLU342
B	SER387

---

site_id	AC3
Number of Residues	32
Details	binding site for Di-peptide MRJ A 502 and SER D 36

Chain	Residue
A	PHE35
A	GLN37
A	GLU38
A	LEU39
A	LYS40
A	HIS47
A	TRP49
A	GLY106
A	GLY107
A	PRO110
A	ALA162
A	CYS163
A	MET197
A	GLU200
A	PHE201
A	VAL270
A	THR300
A	THR302
A	GLY305
A	PHE390
A	GLY391
A	PHE392
A	HOH644
B	GLN113
B	ALA137
B	MET138
D	ASP35
D	LEU37
D	ASP38
D	THR39
D	VAL40
D	HOH201

---

site_id	AC4
Number of Residues	30
Details	binding site for Di-peptide MRJ B 502 and SER C 36

Chain	Residue
A	GLN113
A	MET138
B	THR34
B	PHE35
B	GLN37
B	GLU38
B	LEU39
B	LYS40
B	HIS47
B	TRP49
B	GLY106
B	GLY107
B	ALA162
B	CYS163
B	MET197
B	GLU200
B	PHE201
B	MET204
B	GLY205
B	VAL270
B	HIS298
B	THR302
B	PHE390
B	GLY391
B	PHE392
C	ASP35
C	LEU37
C	ASP38
C	THR39
C	VAL40

---

Functional Information from PROSITE/UniProt

site_id	PS00012
Number of Residues	16
Details	PHOSPHOPANTETHEINE Phosphopantetheine attachment site. DLGADSLDTVELVMAL

Chain	Residue	Details
C	ASP31-LEU46

---

site_id	PS00606
Number of Residues	17
Details	KS3_1 Ketosynthase family 3 (KS3) active site signature. GVNysISsACATSahCI

Chain	Residue	Details
A	GLY154-ILE170

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"For beta-ketoacyl synthase activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01348","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"10571059","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"For beta-ketoacyl synthase activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01348","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	150
Details	Domain: {"description":"Carrier","evidences":[{"source":"PROSITE-ProRule","id":"PRU00258","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"O-(pantetheine 4'-phosphoryl)serine","evidences":[{"source":"PROSITE-ProRule","id":"PRU00258","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"4882207","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 292

Chain	Residue	Details
A	CYS163	activator, covalently attached, electrostatic stabiliser, hydrogen bond donor, nucleofuge, nucleophile
A	HIS298	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	LYS328	activator, hydrogen bond donor
A	HIS333	electrostatic stabiliser, hydrogen bond donor, increase basicity
A	PHE390	activator, hydrogen bond acceptor
A	PHE392	electrostatic stabiliser, hydrogen bond donor

---

site_id	MCSA2
Number of Residues	6
Details	M-CSA 292

Chain	Residue	Details
B	CYS163	activator, covalently attached, electrostatic stabiliser, hydrogen bond donor, nucleofuge, nucleophile
B	HIS298	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	LYS328	activator, hydrogen bond donor
B	HIS333	electrostatic stabiliser, hydrogen bond donor, increase basicity
B	PHE390	activator, hydrogen bond acceptor
B	PHE392	electrostatic stabiliser, hydrogen bond donor

---