5KOF

Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and 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	13
Details	binding site for residue 6W5 C 101

Chain	Residue
B	CYS163
B	HIS333
B	PHE390
B	PHE392
C	SER36
B	MET204
B	GLY205
B	ALA206
B	VAL270
B	HIS298
B	THR300
B	THR302
B	VAL304

---

site_id	AC2
Number of Residues	15
Details	binding site for Di-peptide 6W5 D 101 and SER D 36

Chain	Residue
A	CYS163
A	GLY205
A	VAL270
A	HIS298
A	THR300
A	THR302
A	GLY305
A	HIS333
A	PHE390
A	PHE392
D	ASP35
D	LEU37
D	ASP38
D	VAL40
D	HOH201

---

site_id	AC3
Number of Residues	24
Details	binding site for Di-peptide 6W5 D 101 and CYS A 163

Chain	Residue
A	MET79
A	GLY100
A	ILE102
A	SER143
A	VAL155
A	ASN156
A	TYR157
A	SER161
A	ALA162
A	ALA164
A	THR165
A	PHE186
A	GLY205
A	VAL270
A	HIS298
A	THR300
A	THR302
A	GLY305
A	HIS333
A	LEU335
A	PHE390
A	PHE392
D	SER36
D	HOH201

---

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
B	GLY154-ILE170

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	804
Details	Domain: {"description":"Ketosynthase family 3 (KS3)","evidences":[{"source":"PROSITE-ProRule","id":"PRU01348","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
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	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

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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

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