2QTA
E. coli Pyruvate dehydrogenase E1 component E401K mutant with thiamin diphosphate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0016020 | cellular_component | membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0030976 | molecular_function | thiamine pyrophosphate binding |
| A | 0036094 | molecular_function | small molecule binding |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0042867 | biological_process | pyruvate catabolic process |
| A | 0045254 | cellular_component | pyruvate dehydrogenase complex |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0060090 | molecular_function | molecular adaptor activity |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004739 | molecular_function | pyruvate dehydrogenase (acetyl-transferring) activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0016020 | cellular_component | membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0030976 | molecular_function | thiamine pyrophosphate binding |
| B | 0036094 | molecular_function | small molecule binding |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0042867 | biological_process | pyruvate catabolic process |
| B | 0045254 | cellular_component | pyruvate dehydrogenase complex |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0060090 | molecular_function | molecular adaptor activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 888 |
| Chain | Residue |
| B | ASP230 |
| B | ASN260 |
| B | GLN262 |
| B | TPP887 |
| B | HOH902 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 888 |
| Chain | Residue |
| A | HOH936 |
| A | ASP230 |
| A | ASN260 |
| A | GLN262 |
| A | TPP887 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE TPP B 887 |
| Chain | Residue |
| A | ASP521 |
| A | ILE569 |
| A | GLU571 |
| A | PHE602 |
| A | ARG606 |
| A | HOH1026 |
| B | SER109 |
| B | GLN140 |
| B | HIS142 |
| B | VAL192 |
| B | MET194 |
| B | GLY229 |
| B | ASP230 |
| B | GLY231 |
| B | GLU232 |
| B | GLU235 |
| B | ASN260 |
| B | GLN262 |
| B | ARG263 |
| B | LEU264 |
| B | LYS392 |
| B | MG888 |
| B | HOH902 |
| B | HOH1000 |
| B | HOH1035 |
| site_id | AC4 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE TPP A 887 |
| Chain | Residue |
| A | SER109 |
| A | GLN140 |
| A | HIS142 |
| A | VAL192 |
| A | MET194 |
| A | GLY229 |
| A | ASP230 |
| A | GLY231 |
| A | GLU232 |
| A | GLU235 |
| A | ASN260 |
| A | GLN262 |
| A | LEU264 |
| A | LYS392 |
| A | MG888 |
| A | HOH934 |
| A | HOH936 |
| B | ASP521 |
| B | GLU522 |
| B | ILE569 |
| B | GLU571 |
| B | PHE602 |
| B | HOH1086 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"18723842","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ni4 |
| Chain | Residue | Details |
| A | HIS646 | |
| A | GLU571 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ni4 |
| Chain | Residue | Details |
| B | HIS646 | |
| B | GLU571 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ni4 |
| Chain | Residue | Details |
| A | HIS106 | |
| A | HIS336 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ni4 |
| Chain | Residue | Details |
| B | HIS106 | |
| B | HIS336 |
