1DD8

CRYSTAL STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I FROM ESCHERICHIA COLI

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	0006633	biological_process	fatty acid biosynthetic process
A	0016746	molecular_function	acyltransferase activity
A	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
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	0006633	biological_process	fatty acid biosynthetic process
B	0016746	molecular_function	acyltransferase activity
B	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
B	0044281	biological_process	small molecule metabolic process
B	1903966	biological_process	monounsaturated fatty acid biosynthetic process
C	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006633	biological_process	fatty acid biosynthetic process
C	0016746	molecular_function	acyltransferase activity
C	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
C	0044281	biological_process	small molecule metabolic process
C	1903966	biological_process	monounsaturated fatty acid biosynthetic process
D	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006633	biological_process	fatty acid biosynthetic process
D	0016746	molecular_function	acyltransferase activity
D	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
D	0044281	biological_process	small molecule metabolic process
D	1903966	biological_process	monounsaturated fatty acid biosynthetic process

Functional Information from PROSITE/UniProt

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	4
Details	ACT_SITE: For beta-ketoacyl synthase activity => ECO:0000255|PROSITE-ProRule:PRU01348, ECO:0000305|PubMed:10571059

Chain	Residue	Details
A	CYS163
B	CYS163
C	CYS163
D	CYS163

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: For beta-ketoacyl synthase activity => ECO:0000255|PROSITE-ProRule:PRU01348

Chain	Residue	Details
A	HIS298
A	HIS333
B	HIS298
B	HIS333
C	HIS298
C	HIS333
D	HIS298
D	HIS333

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	8
Details	a catalytic site defined by CSA, PubMed 11286890, 11502177

Chain	Residue	Details
A	PHE392
A	LYS328
A	HIS298
A	HIS298
A	HIS333
A	PHE390
A	CYS163
A	CYS163

---

site_id	CSA2
Number of Residues	8
Details	a catalytic site defined by CSA, PubMed 11286890, 11502177

Chain	Residue	Details
B	PHE392
B	LYS328
B	HIS298
B	HIS298
B	HIS333
B	PHE390
B	CYS163
B	CYS163

---

site_id	CSA3
Number of Residues	8
Details	a catalytic site defined by CSA, PubMed 11286890, 11502177

Chain	Residue	Details
C	PHE392
C	LYS328
C	HIS298
C	HIS298
C	HIS333
C	PHE390
C	CYS163
C	CYS163

---

site_id	CSA4
Number of Residues	8
Details	a catalytic site defined by CSA, PubMed 11286890, 11502177

Chain	Residue	Details
D	PHE392
D	LYS328
D	HIS298
D	HIS298
D	HIS333
D	PHE390
D	CYS163
D	CYS163

---

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

---

site_id	MCSA3
Number of Residues	6
Details	M-CSA 292

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

---

site_id	MCSA4
Number of Residues	6
Details	M-CSA 292

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

---