4FP1
P. putida mandelate racemase co-crystallized with 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl) propionic acid
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0009063 | biological_process | amino acid catabolic process |
A | 0016836 | molecular_function | hydro-lyase activity |
A | 0016853 | molecular_function | isomerase activity |
A | 0018838 | molecular_function | mandelate racemase activity |
A | 0018924 | biological_process | mandelate metabolic process |
A | 0019596 | biological_process | mandelate catabolic process |
A | 0046872 | molecular_function | metal ion binding |
B | 0009063 | biological_process | amino acid catabolic process |
B | 0016836 | molecular_function | hydro-lyase activity |
B | 0016853 | molecular_function | isomerase activity |
B | 0018838 | molecular_function | mandelate racemase activity |
B | 0018924 | biological_process | mandelate metabolic process |
B | 0019596 | biological_process | mandelate catabolic process |
B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE MG A 401 |
Chain | Residue |
A | ASP195 |
A | GLU221 |
A | GLU247 |
A | BFM402 |
A | HOH730 |
A | HOH732 |
A | HOH733 |
site_id | AC2 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE BFM A 402 |
Chain | Residue |
A | VAL29 |
A | PHE52 |
A | LYS166 |
A | ASN197 |
A | GLU247 |
A | HIS297 |
A | LEU298 |
A | LEU319 |
A | MG401 |
A | HOH732 |
A | HOH733 |
A | HOH750 |
B | LEU93 |
A | VAL22 |
A | THR24 |
site_id | AC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE MG B 401 |
Chain | Residue |
B | ASP195 |
B | GLU221 |
B | GLU247 |
B | BFM402 |
B | HOH681 |
B | HOH682 |
B | HOH687 |
site_id | AC4 |
Number of Residues | 16 |
Details | BINDING SITE FOR RESIDUE BFM B 402 |
Chain | Residue |
A | LEU93 |
B | VAL22 |
B | THR24 |
B | VAL29 |
B | PHE52 |
B | LYS166 |
B | ASN197 |
B | GLU247 |
B | HIS297 |
B | LEU298 |
B | LEU319 |
B | MG401 |
B | HOH682 |
B | HOH687 |
B | HOH689 |
B | HOH690 |
Functional Information from PROSITE/UniProt
site_id | PS00908 |
Number of Residues | 26 |
Details | MR_MLE_1 Mandelate racemase / muconate lactonizing enzyme family signature 1. AaAGIDmAAwDAlGKvhetPLvkLLG |
Chain | Residue | Details |
A | ALA103-GLY128 |
site_id | PS00909 |
Number of Residues | 32 |
Details | MR_MLE_2 Mandelate racemase / muconate lactonizing enzyme family signature 2. ImvDyNqsldvpaAikrsqaLqqegvtwIEEP |
Chain | Residue | Details |
A | ILE192-PRO223 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | ACT_SITE: Proton acceptor; specific for S-mandelate |
Chain | Residue | Details |
A | LYS166 | |
B | LYS166 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | ACT_SITE: Proton acceptor; specific for R-mandelate |
Chain | Residue | Details |
A | HIS297 | |
B | HIS297 |
site_id | SWS_FT_FI3 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000269|PubMed:7893689, ECO:0000269|PubMed:7893690, ECO:0000305|PubMed:1892834 |
Chain | Residue | Details |
A | ASP195 | |
A | GLU221 | |
A | GLU247 | |
A | GLU317 | |
B | ASP195 | |
B | GLU221 | |
B | GLU247 | |
B | GLU317 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 9 |
Details | M-CSA 187 |
Chain | Residue | Details |
A | LYS164 | electrostatic stabiliser, hydrogen bond donor |
A | LYS166 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
A | ASP195 | metal ligand |
A | ASN197 | electrostatic stabiliser |
A | GLU221 | metal ligand |
A | GLU247 | metal ligand |
A | ASP270 | electrostatic stabiliser, hydrogen bond acceptor, increase basicity |
A | HIS297 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
A | GLU317 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
site_id | MCSA2 |
Number of Residues | 9 |
Details | M-CSA 187 |
Chain | Residue | Details |
B | LYS164 | electrostatic stabiliser, hydrogen bond donor |
B | LYS166 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
B | ASP195 | metal ligand |
B | ASN197 | electrostatic stabiliser |
B | GLU221 | metal ligand |
B | GLU247 | metal ligand |
B | ASP270 | electrostatic stabiliser, hydrogen bond acceptor, increase basicity |
B | HIS297 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
B | GLU317 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |