3OE1
Pyruvate decarboxylase variant Glu473Asp from Z. mobilis in complex with reaction intermediate 2-lactyl-ThDP
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 | 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 | 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 | 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 | 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 | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 601 |
| Chain | Residue |
| A | ASP440 |
| A | ASN467 |
| A | GLY469 |
| A | TDL611 |
| A | HOH1251 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 601 |
| Chain | Residue |
| B | HOH897 |
| B | ASP440 |
| B | ASN467 |
| B | GLY469 |
| B | TDL611 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 601 |
| Chain | Residue |
| C | ASP440 |
| C | ASN467 |
| C | GLY469 |
| C | TDL611 |
| C | HOH1252 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 601 |
| Chain | Residue |
| D | ASP440 |
| D | ASN467 |
| D | GLY469 |
| D | TDL611 |
| D | HOH898 |
| site_id | AC5 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE TDL A 611 |
| Chain | Residue |
| A | TYR290 |
| A | THR388 |
| A | GLY389 |
| A | ASP390 |
| A | GLY413 |
| A | HIS414 |
| A | ILE415 |
| A | GLY439 |
| A | ASP440 |
| A | GLY441 |
| A | SER442 |
| A | ASN467 |
| A | GLY469 |
| A | TYR470 |
| A | THR471 |
| A | ILE472 |
| A | ASP473 |
| A | ILE476 |
| A | HOH599 |
| A | MG601 |
| A | HOH627 |
| A | HOH734 |
| A | HOH1251 |
| B | ALA25 |
| B | GLY26 |
| B | ASP27 |
| B | GLU50 |
| B | VAL75 |
| B | HIS114 |
| site_id | AC6 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE TDL B 611 |
| Chain | Residue |
| A | ALA25 |
| A | GLY26 |
| A | ASP27 |
| A | GLU50 |
| A | VAL75 |
| A | HIS114 |
| A | HOH637 |
| B | TYR290 |
| B | THR388 |
| B | GLY389 |
| B | ASP390 |
| B | GLY413 |
| B | HIS414 |
| B | ILE415 |
| B | GLY439 |
| B | ASP440 |
| B | GLY441 |
| B | SER442 |
| B | ASN467 |
| B | GLY469 |
| B | TYR470 |
| B | THR471 |
| B | ILE472 |
| B | ASP473 |
| B | HOH578 |
| B | MG601 |
| B | HOH635 |
| B | HOH686 |
| B | HOH897 |
| site_id | AC7 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE TDL C 611 |
| Chain | Residue |
| D | ALA25 |
| D | GLY26 |
| D | ASP27 |
| D | GLU50 |
| D | THR72 |
| D | VAL75 |
| D | HIS114 |
| D | HOH750 |
| C | TYR290 |
| C | THR388 |
| C | GLY389 |
| C | ASP390 |
| C | GLY413 |
| C | HIS414 |
| C | ILE415 |
| C | GLY439 |
| C | ASP440 |
| C | GLY441 |
| C | SER442 |
| C | ASN467 |
| C | GLY469 |
| C | TYR470 |
| C | THR471 |
| C | ILE472 |
| C | ASP473 |
| C | HOH599 |
| C | MG601 |
| C | HOH624 |
| C | HOH1252 |
| site_id | AC8 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE TDL D 611 |
| Chain | Residue |
| C | ALA25 |
| C | GLY26 |
| C | ASP27 |
| C | GLU50 |
| C | VAL75 |
| C | HIS114 |
| C | HOH615 |
| D | TYR290 |
| D | THR388 |
| D | GLY389 |
| D | ASP390 |
| D | GLY413 |
| D | HIS414 |
| D | ILE415 |
| D | GLY439 |
| D | ASP440 |
| D | GLY441 |
| D | SER442 |
| D | ASN467 |
| D | GLY469 |
| D | TYR470 |
| D | THR471 |
| D | ILE472 |
| D | ASP473 |
| D | MG601 |
| D | HOH638 |
| D | HOH753 |
| D | HOH898 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL D 569 |
| Chain | Residue |
| D | ALA61 |
| D | ARG62 |
| D | GLY65 |
| D | ARG221 |
| D | HOH623 |
| D | HOH671 |
| D | HOH1055 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL D 570 |
| Chain | Residue |
| B | PRO430 |
| B | PRO459 |
| B | THR529 |
| D | GLU369 |
| D | ARG372 |
Functional Information from PROSITE/UniProt
| site_id | PS00187 |
| Number of Residues | 20 |
| Details | TPP_ENZYMES Thiamine pyrophosphate enzymes signature. FGyavgaPerrnIlMvGDGS |
| Chain | Residue | Details |
| A | PHE423-SER442 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 328 |
| Details | Region: {"description":"Thiamine pyrophosphate binding"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | Binding site: {} |
| Chain | Residue | Details |
