5AN7
Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3-diketone inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000162 | biological_process | tryptophan biosynthetic process |
| A | 0004425 | molecular_function | indole-3-glycerol-phosphate synthase activity |
| A | 0004640 | molecular_function | phosphoribosylanthranilate isomerase activity |
| A | 0006568 | biological_process | tryptophan metabolic process |
| A | 0016830 | molecular_function | carbon-carbon lyase activity |
| A | 0016831 | molecular_function | carboxy-lyase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 A 4002 |
| Chain | Residue |
| A | TYR1004 |
| A | GLN1014 |
| A | ARG1036 |
| A | ARG1043 |
| A | HOH2060 |
| A | HOH2107 |
| A | HOH2279 |
| A | HOH2280 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 A 4003 |
| Chain | Residue |
| A | ARG1018 |
| A | ARG1043 |
| A | LYS1087 |
| A | HOH2061 |
| A | HOH2281 |
| A | HOH2283 |
| A | ASP1011 |
| site_id | AC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE LLK A 5001 |
| Chain | Residue |
| A | TRP1008 |
| A | TYR1051 |
| A | SER1056 |
| A | PRO1057 |
| A | LYS1083 |
| A | PHE1089 |
| A | ASN1110 |
| A | MET1182 |
| A | PHE1184 |
| A | GLU1185 |
| A | THR1186 |
| A | GLY1187 |
| A | HOH2122 |
| A | HOH2150 |
| A | HOH2151 |
| A | HOH2284 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 252 |
| Chain | Residue | Details |
| A | TYR1051 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity, proton acceptor, proton donor |
| A | LEU1053 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| A | ASN1110 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | LEU1159 | activator, hydrogen bond acceptor, increase nucleophilicity |
| A | TYR1180 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity |
| A | LEU1210 | electrostatic stabiliser |
| A | LEU1211 | electrostatic stabiliser, hydrogen bond donor |
