2BZ3
Structure of E.coli KAS I H298E mutant in complex with C12 fatty acid
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 PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NH4 A 1406 |
| Chain | Residue |
| A | ASN296 |
| A | SER297 |
| A | GLU342 |
| A | SER387 |
| A | ASN388 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1408 |
| Chain | Residue |
| A | GLN37 |
| A | LYS40 |
| A | HOH2274 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NH4 C 1406 |
| Chain | Residue |
| C | SER297 |
| C | GLU342 |
| C | SER387 |
| C | ASN388 |
| C | ASN296 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NH4 D 1406 |
| Chain | Residue |
| D | ASN296 |
| D | SER297 |
| D | GLU342 |
| D | SER387 |
| D | ASN388 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NH4 D 1407 |
| Chain | Residue |
| B | ASN296 |
| B | SER297 |
| B | GLU342 |
| B | SER387 |
| B | ASN388 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1409 |
| Chain | Residue |
| A | ARG124 |
| D | GLN37 |
| D | LYS40 |
| site_id | AC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE DAO A 1407 |
| Chain | Residue |
| A | GLY106 |
| A | ALA162 |
| A | CYS163 |
| A | MET197 |
| A | GLU200 |
| A | PHE201 |
| A | GLY391 |
| A | PHE392 |
| B | GLN113 |
| B | ALA137 |
| B | MET138 |
| site_id | AC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE DAO B 1406 |
| Chain | Residue |
| A | GLN113 |
| A | ALA137 |
| A | MET138 |
| B | GLY106 |
| B | GLY107 |
| B | PRO110 |
| B | ALA162 |
| B | CYS163 |
| B | MET197 |
| B | GLU200 |
| B | PHE201 |
| B | GLY391 |
| B | PHE392 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE DAO C 1407 |
| Chain | Residue |
| C | GLY106 |
| C | GLY107 |
| C | ALA162 |
| C | CYS163 |
| C | MET197 |
| C | GLU200 |
| C | PHE201 |
| C | GLY391 |
| C | PHE392 |
| D | ALA137 |
| site_id | BC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE DAO D 1408 |
| Chain | Residue |
| C | ALA137 |
| C | MET138 |
| D | GLY106 |
| D | ALA162 |
| D | CYS163 |
| D | MET197 |
| D | GLU200 |
| D | PHE201 |
| D | GLY391 |
| D | PHE392 |
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 | GLU298 | |
| A | HIS333 | |
| B | GLU298 | |
| B | HIS333 | |
| C | GLU298 | |
| C | HIS333 | |
| D | GLU298 | |
| D | HIS333 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 292 |
| Chain | Residue | Details |
| 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 |
| A | CYS163 | activator, covalently attached, electrostatic stabiliser, hydrogen bond donor, nucleofuge, nucleophile |
| A | GLU298 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton 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 | GLU298 | 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 | GLU298 | 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 | GLU298 | 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 |
