3NYZ
Crystal Structure of Kemp Elimination Catalyst 1A53-2
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 |
| B | 0000162 | biological_process | tryptophan biosynthetic process |
| B | 0004425 | molecular_function | indole-3-glycerol-phosphate synthase activity |
| B | 0004640 | molecular_function | phosphoribosylanthranilate isomerase activity |
| B | 0006568 | biological_process | tryptophan metabolic process |
| B | 0016830 | molecular_function | carbon-carbon lyase activity |
| B | 0016831 | molecular_function | carboxy-lyase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SO4 A 262 |
| Chain | Residue |
| A | LYS53 |
| A | HOH276 |
| A | HOH277 |
| A | ARG182 |
| A | GLN211 |
| A | GLY212 |
| A | GLY233 |
| A | SER234 |
| A | HOH273 |
| A | HOH274 |
| A | HOH275 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SO4 B 262 |
| Chain | Residue |
| B | LYS53 |
| B | GLN211 |
| B | GLY212 |
| B | GLY233 |
| B | SER234 |
| B | HOH290 |
| B | HOH291 |
| B | HOH292 |
| B | HOH326 |
| B | HOH334 |
| B | HOH343 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 252 |
| Chain | Residue | Details |
| A | ALA51 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity, proton acceptor, proton donor |
| A | LYS53 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| A | TRP110 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | VAL159 | activator, hydrogen bond acceptor, increase nucleophilicity |
| A | ALA180 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity |
| A | TRP210 | electrostatic stabiliser |
| A | GLN211 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 252 |
| Chain | Residue | Details |
| B | ALA51 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity, proton acceptor, proton donor |
| B | LYS53 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| B | TRP110 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | VAL159 | activator, hydrogen bond acceptor, increase nucleophilicity |
| B | ALA180 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity |
| B | TRP210 | electrostatic stabiliser |
| B | GLN211 | electrostatic stabiliser, hydrogen bond donor |
