1AFW
THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE DIMERIC PEROXISOMAL THIOLASE OF SACCHAROMYCES CEREVISIAE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003729 | molecular_function | mRNA binding |
| A | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005758 | cellular_component | mitochondrial intermembrane space |
| A | 0005777 | cellular_component | peroxisome |
| A | 0005782 | cellular_component | peroxisomal matrix |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0010124 | biological_process | phenylacetate catabolic process |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| B | 0003729 | molecular_function | mRNA binding |
| B | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005758 | cellular_component | mitochondrial intermembrane space |
| B | 0005777 | cellular_component | peroxisome |
| B | 0005782 | cellular_component | peroxisomal matrix |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0010124 | biological_process | phenylacetate catabolic process |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MRD A 501 |
| Chain | Residue |
| A | ILE184 |
| A | HOH533 |
| A | HOH615 |
| A | GLN124 |
| A | CYS182 |
| A | LEU183 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MRD B 502 |
| Chain | Residue |
| B | GLN124 |
| B | CYS182 |
| B | LEU183 |
| B | ILE184 |
| B | HOH534 |
| B | HOH642 |
| site_id | AVA |
| Number of Residues | 3 |
| Details | ACTIVE SITE IN CHAIN A. |
| Chain | Residue |
| A | CYS125 |
| A | HIS375 |
| A | CYS403 |
| site_id | AVB |
| Number of Residues | 3 |
| Details | ACTIVE SITE IN CHAIN B. |
| Chain | Residue |
| B | CYS125 |
| B | HIS375 |
| B | CYS403 |
Functional Information from PROSITE/UniProt
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. LNRqCSSGLtAVndiankI |
| Chain | Residue | Details |
| A | LEU121-ILE139 |
| site_id | PS00099 |
| Number of Residues | 14 |
| Details | THIOLASE_3 Thiolases active site. GVVSMCIGtGmGaA |
| Chain | Residue | Details |
| A | GLY398-ALA411 |
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NprGGaIAlGHPlGcTG |
| Chain | Residue | Details |
| A | ASN365-GLY381 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Acyl-thioester intermediate |
| Chain | Residue | Details |
| A | CYS125 | |
| B | CYS125 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | HIS375 | |
| A | CYS403 | |
| B | HIS375 | |
| B | CYS403 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | a catalytic site defined by CSA, PubMed 10764581, 9402066 |
| Chain | Residue | Details |
| A | CYS125 | |
| A | HIS375 | |
| A | CYS403 | |
| A | GLY405 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 77 |
| Chain | Residue | Details |
| A | CYS125 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | HIS375 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | CYS403 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | GLY405 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 77 |
| Chain | Residue | Details |
| B | CYS125 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| B | HIS375 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | CYS403 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | GLY405 | electrostatic stabiliser, hydrogen bond donor |
