4MPP
Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0003984 | molecular_function | acetolactate synthase activity |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016831 | molecular_function | carboxy-lyase activity |
| A | 0018924 | biological_process | mandelate metabolic process |
| A | 0019596 | biological_process | mandelate catabolic process |
| A | 0019752 | biological_process | carboxylic acid metabolic process |
| A | 0030976 | molecular_function | thiamine pyrophosphate binding |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0050695 | molecular_function | benzoylformate decarboxylase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA A 601 |
| Chain | Residue |
| A | ASP428 |
| A | ASN455 |
| A | THR457 |
| A | TZD605 |
| A | HOH707 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CA A 602 |
| Chain | Residue |
| A | HOH968 |
| A | HOH1036 |
| A | HOH1060 |
| A | HOH1117 |
| A | HOH1181 |
| A | GLU37 |
| A | ASP364 |
| A | HOH771 |
| A | HOH911 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA A 603 |
| Chain | Residue |
| A | ASP347 |
| A | ALA416 |
| A | HOH847 |
| A | HOH915 |
| A | HOH937 |
| A | HOH988 |
| A | HOH1005 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A 604 |
| Chain | Residue |
| A | ASN117 |
| A | ASN117 |
| A | LEU118 |
| A | LEU118 |
| A | ARG120 |
| A | ARG120 |
| site_id | AC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE TZD A 605 |
| Chain | Residue |
| A | ASN23 |
| A | PRO24 |
| A | GLY25 |
| A | GLU47 |
| A | HIS70 |
| A | ASN77 |
| A | PRO377 |
| A | SER378 |
| A | GLY401 |
| A | LEU403 |
| A | GLY427 |
| A | ASP428 |
| A | GLY429 |
| A | SER430 |
| A | TYR433 |
| A | ASN455 |
| A | THR457 |
| A | TYR458 |
| A | GLY459 |
| A | ILE460 |
| A | CA601 |
| A | HOH749 |
| A | HOH1070 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 606 |
| Chain | Residue |
| A | LEU43 |
| A | GLN443 |
| A | GLY475 |
| A | LEU476 |
| A | ASP477 |
| A | HOH1087 |
| A | HOH1101 |
| A | HOH1207 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 607 |
| Chain | Residue |
| A | ALA196 |
| A | ARG294 |
| A | ILE296 |
| A | ASP312 |
| A | HOH785 |
| A | HOH1083 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 608 |
| Chain | Residue |
| A | ALA102 |
| A | GLU134 |
| A | HIS137 |
| A | ASP168 |
| A | HOH760 |
| A | HOH782 |
| A | HOH987 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 609 |
| Chain | Residue |
| A | ARG184 |
| A | ASP187 |
| A | HOH921 |
Functional Information from PROSITE/UniProt
| site_id | PS00187 |
| Number of Residues | 20 |
| Details | TPP_ENZYMES Thiamine pyrophosphate enzymes signature. IGvqlaePerqvIaViGDGS |
| Chain | Residue | Details |
| A | ILE411-SER430 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 83 |
| Details | Region: {"description":"Thiamine pyrophosphate binding"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Binding site: {} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 220 |
| Chain | Residue | Details |
| A | GLY25 | electrostatic stabiliser, hydrogen bond donor |
| A | SER26 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| A | GLU28 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | GLU47 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | HIS70 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | TYR281 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | GLY401 | electrostatic stabiliser, hydrogen bond acceptor |
