2H3W
Crystal structure of the S554A/M564G mutant of murine carnitine acetyltransferase in complex with hexanoylcarnitine and CoA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003997 | molecular_function | acyl-CoA oxidase activity |
| A | 0004092 | molecular_function | carnitine O-acetyltransferase activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005743 | cellular_component | mitochondrial inner membrane |
| A | 0005777 | cellular_component | peroxisome |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0008458 | molecular_function | carnitine O-octanoyltransferase activity |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0019254 | biological_process | carnitine metabolic process, CoA-linked |
| A | 0033540 | biological_process | fatty acid beta-oxidation using acyl-CoA oxidase |
| A | 0046459 | biological_process | short-chain fatty acid metabolic process |
| A | 0051791 | biological_process | medium-chain fatty acid metabolic process |
| B | 0003997 | molecular_function | acyl-CoA oxidase activity |
| B | 0004092 | molecular_function | carnitine O-acetyltransferase activity |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005743 | cellular_component | mitochondrial inner membrane |
| B | 0005777 | cellular_component | peroxisome |
| B | 0005783 | cellular_component | endoplasmic reticulum |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0008458 | molecular_function | carnitine O-octanoyltransferase activity |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0019254 | biological_process | carnitine metabolic process, CoA-linked |
| B | 0033540 | biological_process | fatty acid beta-oxidation using acyl-CoA oxidase |
| B | 0046459 | biological_process | short-chain fatty acid metabolic process |
| B | 0051791 | biological_process | medium-chain fatty acid metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE COA A 1601 |
| Chain | Residue |
| A | LEU163 |
| A | SER428 |
| A | PRO429 |
| A | ASP430 |
| A | ALA455 |
| A | SER456 |
| A | ARG504 |
| A | THR507 |
| A | ILE511 |
| A | GLN555 |
| A | HC51602 |
| A | HIS343 |
| A | HOH1690 |
| A | HOH1769 |
| A | HOH1777 |
| A | HOH1789 |
| A | HOH1811 |
| A | HOH1816 |
| A | HOH1925 |
| A | HOH1951 |
| A | HOH2165 |
| A | GLU347 |
| A | GLY348 |
| A | PRO349 |
| A | LYS419 |
| A | LYS423 |
| A | LYS426 |
| A | LEU427 |
| site_id | AC2 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE COA B 1701 |
| Chain | Residue |
| B | LEU163 |
| B | GLU347 |
| B | GLY348 |
| B | PRO349 |
| B | LYS419 |
| B | LYS423 |
| B | LYS426 |
| B | LEU427 |
| B | SER428 |
| B | PRO429 |
| B | ASP430 |
| B | SER454 |
| B | ALA455 |
| B | SER456 |
| B | ARG504 |
| B | THR507 |
| B | ILE511 |
| B | GLN555 |
| B | HC51702 |
| B | HOH1798 |
| B | HOH1902 |
| B | HOH1942 |
| B | HOH2012 |
| B | HOH2094 |
| B | HOH2156 |
| B | HOH2220 |
| B | HOH2229 |
| site_id | AC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE HC5 A 1602 |
| Chain | Residue |
| A | TRP102 |
| A | PRO120 |
| A | VAL122 |
| A | TYR341 |
| A | HIS343 |
| A | GLU347 |
| A | TYR452 |
| A | SER454 |
| A | THR465 |
| A | SER552 |
| A | ALA554 |
| A | VAL556 |
| A | PHE566 |
| A | VAL569 |
| A | COA1601 |
| A | HOH1603 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE HC5 B 1702 |
| Chain | Residue |
| B | TRP102 |
| B | VAL122 |
| B | TYR341 |
| B | HIS343 |
| B | GLU347 |
| B | TYR452 |
| B | SER454 |
| B | THR465 |
| B | SER552 |
| B | ALA554 |
| B | VAL556 |
| B | PHE566 |
| B | VAL569 |
| B | COA1701 |
| B | HOH1712 |
Functional Information from PROSITE/UniProt
| site_id | PS00439 |
| Number of Residues | 16 |
| Details | ACYLTRANSF_C_1 Acyltransferases ChoActase / COT / CPT family signature 1. LPrLPVPpLqQSLdyY |
| Chain | Residue | Details |
| A | LEU35-TYR50 |
| site_id | PS00440 |
| Number of Residues | 28 |
| Details | ACYLTRANSF_C_2 Acyltransferases ChoActase / COT / CPT family signature 2. RWfDKtLqFIvaeDGscgmvyEHaaaEG |
| Chain | Residue | Details |
| A | ARG321-GLY348 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | HIS343 | |
| B | HIS343 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 14 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:12526798, ECO:0000269|PubMed:15155726 |
| Chain | Residue | Details |
| A | LYS419 | |
| B | SER454 | |
| B | SER456 | |
| B | THR465 | |
| B | ARG504 | |
| B | GLN555 | |
| A | TYR452 | |
| A | SER454 | |
| A | SER456 | |
| A | THR465 | |
| A | ARG504 | |
| A | GLN555 | |
| B | LYS419 | |
| B | TYR452 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | LYS423 | |
| B | LYS423 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-succinyllysine => ECO:0007744|PubMed:23806337 |
| Chain | Residue | Details |
| A | LYS93 | |
| B | LYS93 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0007744|PubMed:23806337 |
| Chain | Residue | Details |
| A | LYS261 | |
| B | LYS261 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P43155 |
| Chain | Residue | Details |
| A | LYS268 | |
| B | LYS268 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ndi |
| Chain | Residue | Details |
| A | ALA554 | |
| A | HIS343 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ndi |
| Chain | Residue | Details |
| B | ALA554 | |
| B | HIS343 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 629 |
| Chain | Residue | Details |
| A | TYR107 | steric role |
| A | PRO120 | steric role |
| A | HIS343 | hydrogen bond acceptor, proton acceptor, proton donor |
| A | ALA554 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 629 |
| Chain | Residue | Details |
| B | TYR107 | steric role |
| B | PRO120 | steric role |
| B | HIS343 | hydrogen bond acceptor, proton acceptor, proton donor |
| B | ALA554 | electrostatic stabiliser, hydrogen bond donor |
