2VJY
Pyruvate decarboxylase from Kluyveromyces lactis in complex with the substrate analogue methyl acetylphosphonate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0000949 | biological_process | aromatic amino acid family catabolic process to alcohol via Ehrlich pathway |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004737 | molecular_function | pyruvate decarboxylase activity |
| A | 0005634 | cellular_component | nucleus |
| A | 0005829 | cellular_component | cytosol |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016831 | molecular_function | carboxy-lyase activity |
| A | 0019752 | biological_process | carboxylic acid metabolic process |
| A | 0030976 | molecular_function | thiamine pyrophosphate binding |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0000949 | biological_process | aromatic amino acid family catabolic process to alcohol via Ehrlich pathway |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004737 | molecular_function | pyruvate decarboxylase activity |
| B | 0005634 | cellular_component | nucleus |
| B | 0005829 | cellular_component | cytosol |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016831 | molecular_function | carboxy-lyase activity |
| B | 0019752 | biological_process | carboxylic acid metabolic process |
| B | 0030976 | molecular_function | thiamine pyrophosphate binding |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0000949 | biological_process | aromatic amino acid family catabolic process to alcohol via Ehrlich pathway |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004737 | molecular_function | pyruvate decarboxylase activity |
| C | 0005634 | cellular_component | nucleus |
| C | 0005829 | cellular_component | cytosol |
| C | 0016829 | molecular_function | lyase activity |
| C | 0016831 | molecular_function | carboxy-lyase activity |
| C | 0019752 | biological_process | carboxylic acid metabolic process |
| C | 0030976 | molecular_function | thiamine pyrophosphate binding |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0000949 | biological_process | aromatic amino acid family catabolic process to alcohol via Ehrlich pathway |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004737 | molecular_function | pyruvate decarboxylase activity |
| D | 0005634 | cellular_component | nucleus |
| D | 0005829 | cellular_component | cytosol |
| D | 0016829 | molecular_function | lyase activity |
| D | 0016831 | molecular_function | carboxy-lyase activity |
| D | 0019752 | biological_process | carboxylic acid metabolic process |
| D | 0030976 | molecular_function | thiamine pyrophosphate binding |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE TPP A 600 |
| Chain | Residue |
| A | GLY389 |
| A | ASN471 |
| A | GLY473 |
| A | TYR474 |
| A | THR475 |
| A | ILE476 |
| A | GLU477 |
| A | MG601 |
| A | ALK602 |
| A | HOH2209 |
| A | HOH2238 |
| A | THR390 |
| A | HOH2298 |
| B | PRO26 |
| B | GLY27 |
| B | GLU51 |
| B | VAL76 |
| B | HIS115 |
| A | GLY413 |
| A | SER414 |
| A | ILE415 |
| A | GLY443 |
| A | ASP444 |
| A | GLY445 |
| A | SER446 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 601 |
| Chain | Residue |
| A | ASP444 |
| A | ASN471 |
| A | GLY473 |
| A | TPP600 |
| A | HOH2238 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ALK A 602 |
| Chain | Residue |
| A | PHE292 |
| A | THR388 |
| A | GLU477 |
| A | ILE480 |
| A | TPP600 |
| B | GLY27 |
| B | ASP28 |
| B | HIS114 |
| B | HIS115 |
| B | HOH2042 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ALK A 603 |
| Chain | Residue |
| A | HIS92 |
| A | CYS221 |
| A | HIS225 |
| A | GLY286 |
| A | ALA287 |
| A | HIS310 |
| A | SER311 |
| A | HOH2299 |
| A | HOH2300 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ALU A 604 |
| Chain | Residue |
| A | GLN16 |
| A | VAL17 |
| A | GLU18 |
| A | LYS65 |
| A | TYR157 |
| site_id | AC6 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE TPP B 600 |
| Chain | Residue |
| A | PRO26 |
| A | GLY27 |
| A | GLU51 |
| A | VAL76 |
| A | HIS115 |
| B | THR390 |
| B | GLY413 |
| B | SER414 |
| B | ILE415 |
| B | GLY443 |
| B | ASP444 |
| B | GLY445 |
| B | SER446 |
| B | ASN471 |
| B | GLY473 |
| B | TYR474 |
| B | THR475 |
| B | ILE476 |
| B | GLU477 |
| B | MG601 |
| B | ALK602 |
| B | HOH2212 |
| B | HOH2214 |
| B | HOH2300 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 601 |
| Chain | Residue |
| B | ASP444 |
| B | ASN471 |
| B | GLY473 |
| B | TPP600 |
| B | HOH2300 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ALK B 602 |
| Chain | Residue |
| A | GLY27 |
| A | ASP28 |
| A | HIS114 |
| A | HIS115 |
| A | HOH2014 |
| B | PHE292 |
| B | THR388 |
| B | GLU477 |
| B | ILE480 |
| B | TPP600 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ALK B 603 |
| Chain | Residue |
| B | SER311 |
| B | HOH2161 |
| B | HIS92 |
| B | CYS221 |
| B | HIS225 |
| B | GLY286 |
| B | ALA287 |
| B | HIS310 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ALU B 604 |
| Chain | Residue |
| B | VAL17 |
| B | LYS65 |
| B | TYR157 |
| site_id | BC2 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE TPP C 600 |
| Chain | Residue |
| C | THR390 |
| C | GLY413 |
| C | SER414 |
| C | ILE415 |
| C | GLY443 |
| C | ASP444 |
| C | GLY445 |
| C | SER446 |
| C | ASN471 |
| C | GLY473 |
| C | TYR474 |
| C | THR475 |
| C | ILE476 |
| C | GLU477 |
| C | MG601 |
| C | ALK602 |
| C | HOH2164 |
| C | HOH2219 |
| C | HOH2220 |
| D | PRO26 |
| D | GLY27 |
| D | GLU51 |
| D | VAL76 |
| D | HIS115 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 601 |
| Chain | Residue |
| C | ASP444 |
| C | ASN471 |
| C | GLY473 |
| C | TPP600 |
| C | HOH2220 |
| site_id | BC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ALK C 602 |
| Chain | Residue |
| C | PHE292 |
| C | THR388 |
| C | GLU477 |
| C | ILE480 |
| C | TPP600 |
| D | GLY27 |
| D | ASP28 |
| D | HIS114 |
| D | HIS115 |
| D | HOH2022 |
| site_id | BC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ALK C 603 |
| Chain | Residue |
| C | HIS92 |
| C | CYS221 |
| C | HIS225 |
| C | GLY286 |
| C | ALA287 |
| C | HIS310 |
| C | SER311 |
| C | HOH2126 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ALU C 604 |
| Chain | Residue |
| C | GLN16 |
| C | VAL17 |
| C | GLU18 |
| C | LYS65 |
| C | TYR157 |
| site_id | BC7 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE TPP D 600 |
| Chain | Residue |
| C | PRO26 |
| C | GLY27 |
| C | GLU51 |
| C | VAL76 |
| C | HIS115 |
| D | THR390 |
| D | GLY413 |
| D | SER414 |
| D | ILE415 |
| D | GLY443 |
| D | ASP444 |
| D | GLY445 |
| D | SER446 |
| D | ASN471 |
| D | GLY473 |
| D | TYR474 |
| D | THR475 |
| D | ILE476 |
| D | GLU477 |
| D | MG601 |
| D | ALK602 |
| D | HOH2164 |
| D | HOH2184 |
| D | HOH2227 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 601 |
| Chain | Residue |
| D | ASP444 |
| D | ASN471 |
| D | GLY473 |
| D | TPP600 |
| D | HOH2184 |
| site_id | BC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ALK D 602 |
| Chain | Residue |
| C | GLY27 |
| C | ASP28 |
| C | HIS114 |
| C | HIS115 |
| D | THR388 |
| D | GLU477 |
| D | ILE480 |
| D | TPP600 |
| site_id | CC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ALK D 603 |
| Chain | Residue |
| D | HIS92 |
| D | CYS221 |
| D | HIS225 |
| D | GLY286 |
| D | ALA287 |
| D | HIS310 |
| D | SER311 |
| D | HOH2228 |
Functional Information from PROSITE/UniProt
| site_id | PS00187 |
| Number of Residues | 20 |
| Details | TPP_ENZYMES Thiamine pyrophosphate enzymes signature. FAaeeidPkkrvIlFiGDGS |
| Chain | Residue | Details |
| A | PHE427-SER446 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 60 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"P06169","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1pvd |
| Chain | Residue | Details |
| A | ASP28 | |
| A | HIS114 | |
| A | HIS115 | |
| A | GLU477 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1pvd |
| Chain | Residue | Details |
| B | ASP28 | |
| B | HIS114 | |
| B | HIS115 | |
| B | GLU477 |
| site_id | CSA3 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1pvd |
| Chain | Residue | Details |
| C | ASP28 | |
| C | HIS114 | |
| C | HIS115 | |
| C | GLU477 |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1pvd |
| Chain | Residue | Details |
| D | ASP28 | |
| D | HIS114 | |
| D | HIS115 | |
| D | GLU477 |
