4IX0
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
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 | 4 |
Details | BINDING SITE FOR RESIDUE NI A 301 |
Chain | Residue |
A | BP5133 |
A | GLU159 |
A | ASP184 |
A | HOH418 |
site_id | AC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 A 302 |
Chain | Residue |
A | SER21 |
A | ARG23 |
A | ARG64 |
A | ASP65 |
A | GLU68 |
site_id | AC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 A 303 |
Chain | Residue |
A | LYS53 |
A | GLY212 |
A | GLY233 |
A | SER234 |
A | HOH415 |
A | HOH439 |
Functional Information from PROSITE/UniProt
site_id | PS00614 |
Number of Residues | 15 |
Details | IGPS Indole-3-glycerol phosphate synthase signature. IIaEYKRKSPSgld....V |
Chain | Residue | Details |
A | ILE48-VAL62 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 7 |
Details | M-CSA 252 |
Chain | Residue | Details |
A | GLU51 | 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 | MET110 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
A | GLU159 | activator, hydrogen bond acceptor, increase nucleophilicity |
A | SER180 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity |
A | ASP210 | electrostatic stabiliser |
A | SER211 | electrostatic stabiliser, hydrogen bond donor |