1W85
The crystal structure of pyruvate dehydrogenase E1 bound to the peripheral subunit binding domain of E2
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016624 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| C | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016624 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| E | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| E | 0005515 | molecular_function | protein binding |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0016624 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| F | 0005515 | molecular_function | protein binding |
| F | 0016491 | molecular_function | oxidoreductase activity |
| G | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| G | 0005515 | molecular_function | protein binding |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0016624 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor |
| H | 0003824 | molecular_function | catalytic activity |
| H | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| H | 0005515 | molecular_function | protein binding |
| H | 0016491 | molecular_function | oxidoreductase activity |
| I | 0016746 | molecular_function | acyltransferase activity |
| J | 0016746 | molecular_function | acyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A1368 |
| Chain | Residue |
| A | ASP173 |
| A | ASN202 |
| A | PHE204 |
| A | TPP1370 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K B1325 |
| Chain | Residue |
| B | HOH2069 |
| B | ILE112 |
| B | THR113 |
| B | ALA160 |
| B | ASP163 |
| B | ASP165 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B1326 |
| Chain | Residue |
| A | HOH2131 |
| B | HOH2045 |
| B | HOH2046 |
| C | HOH2169 |
| C | HOH2170 |
| D | HOH2071 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C1368 |
| Chain | Residue |
| C | ASP173 |
| C | ASN202 |
| C | PHE204 |
| C | TPP1370 |
| C | HOH2173 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K D1325 |
| Chain | Residue |
| D | ILE112 |
| D | THR113 |
| D | ALA160 |
| D | ASP163 |
| D | ASP165 |
| D | HOH2087 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG E1368 |
| Chain | Residue |
| E | ASP173 |
| E | ASN202 |
| E | TPP1370 |
| E | HOH2079 |
| E | HOH2087 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K F1325 |
| Chain | Residue |
| F | ILE112 |
| F | THR113 |
| F | ALA160 |
| F | ASP163 |
| F | ASP165 |
| F | HOH2060 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG F1326 |
| Chain | Residue |
| E | HOH2083 |
| E | HOH2084 |
| F | HOH2045 |
| G | HOH2125 |
| G | HOH2127 |
| H | HOH2057 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG G1368 |
| Chain | Residue |
| G | ASP173 |
| G | ASN202 |
| G | PHE204 |
| G | TPP1370 |
| G | HOH2131 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K H1325 |
| Chain | Residue |
| H | ILE112 |
| H | THR113 |
| H | ALA160 |
| H | ASP163 |
| H | ASP165 |
| H | HOH2072 |
| site_id | BC2 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE TDP A1370 |
| Chain | Residue |
| A | TYR102 |
| A | ARG103 |
| A | ILE142 |
| A | ILE143 |
| A | ILE144 |
| A | GLY172 |
| A | ASP173 |
| A | GLY174 |
| A | GLY175 |
| A | GLN178 |
| A | ASN202 |
| A | PHE204 |
| A | ALA205 |
| A | ILE206 |
| A | HIS271 |
| A | MG1368 |
| A | HOH2163 |
| A | HOH2222 |
| A | HOH2223 |
| A | HOH2224 |
| D | GLU28 |
| D | LEU57 |
| D | GLU59 |
| D | GLN81 |
| D | PHE85 |
| site_id | BC3 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE TDP C1370 |
| Chain | Residue |
| C | HIS271 |
| C | MG1368 |
| C | HOH2173 |
| C | HOH2279 |
| C | HOH2280 |
| C | HOH2281 |
| C | HOH2282 |
| B | GLU28 |
| B | LEU57 |
| B | GLU59 |
| B | GLN81 |
| B | PHE85 |
| C | TYR102 |
| C | ARG103 |
| C | ILE142 |
| C | ILE143 |
| C | ILE144 |
| C | GLY172 |
| C | ASP173 |
| C | GLY174 |
| C | GLY175 |
| C | GLN178 |
| C | ASN202 |
| C | PHE204 |
| C | ALA205 |
| C | ILE206 |
| site_id | BC4 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE TDP E1370 |
| Chain | Residue |
| E | TYR102 |
| E | ARG103 |
| E | ILE142 |
| E | ILE144 |
| E | GLY172 |
| E | ASP173 |
| E | GLY174 |
| E | GLY175 |
| E | GLN178 |
| E | ASN202 |
| E | HIS271 |
| E | MG1368 |
| E | HOH2087 |
| E | HOH2136 |
| E | HOH2137 |
| H | GLU28 |
| H | LEU57 |
| H | GLU59 |
| H | GLN81 |
| H | PHE85 |
| site_id | BC5 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE TDP G1370 |
| Chain | Residue |
| F | GLU28 |
| F | LEU57 |
| F | GLU59 |
| F | GLN81 |
| F | PHE85 |
| G | TYR102 |
| G | ARG103 |
| G | ILE142 |
| G | ILE144 |
| G | GLY172 |
| G | ASP173 |
| G | GLY174 |
| G | GLY175 |
| G | GLN178 |
| G | ASN202 |
| G | PHE204 |
| G | ALA205 |
| G | ILE206 |
| G | HIS271 |
| G | MG1368 |
| G | HOH2131 |
| G | HOH2231 |
| G | HOH2232 |
| G | HOH2233 |
| G | HOH2234 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A1369 |
| Chain | Residue |
| A | MET160 |
| A | PHE191 |
| B | GLU49 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PEG C1369 |
| Chain | Residue |
| C | MET160 |
| C | PHE191 |
| C | HOH2152 |
| D | GLU49 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG G1369 |
| Chain | Residue |
| G | ILE109 |
| G | TRP110 |
| G | GLU324 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| B | SER60 | |
| D | SER60 | |
| F | SER60 | |
| H | SER60 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dtw |
| Chain | Residue | Details |
| C | HIS271 | |
| B | GLU59 | |
| B | HIS128 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dtw |
| Chain | Residue | Details |
| A | HIS271 | |
| D | GLU59 | |
| D | HIS128 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dtw |
| Chain | Residue | Details |
| F | GLU59 | |
| F | HIS128 | |
| G | HIS271 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dtw |
| Chain | Residue | Details |
| H | GLU59 | |
| H | HIS128 | |
| E | HIS271 |
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 106 |
| Chain | Residue | Details |
| B | SER60 | proton acceptor, proton donor |
| B | SER129 | proton acceptor, proton donor |
| A | ARG282 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 2 |
| Details | M-CSA 106 |
| Chain | Residue | Details |
| D | SER60 | proton acceptor, proton donor |
| D | SER129 | proton acceptor, proton donor |
| C | ARG282 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA3 |
| Number of Residues | 2 |
| Details | M-CSA 106 |
| Chain | Residue | Details |
| F | SER60 | proton acceptor, proton donor |
| F | SER129 | proton acceptor, proton donor |
| E | ARG282 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA4 |
| Number of Residues | 2 |
| Details | M-CSA 106 |
| Chain | Residue | Details |
| H | SER60 | proton acceptor, proton donor |
| H | SER129 | proton acceptor, proton donor |
| G | ARG282 | electrostatic stabiliser, hydrogen bond donor |
