6WKI
Crystal structure of pentalenene synthase mutant F76H
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0010333 | molecular_function | terpene synthase activity |
| A | 0016829 | molecular_function | lyase activity |
| A | 0017000 | biological_process | antibiotic biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050467 | molecular_function | pentalenene synthase activity |
| B | 0010333 | molecular_function | terpene synthase activity |
| B | 0016829 | molecular_function | lyase activity |
| B | 0017000 | biological_process | antibiotic biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050467 | molecular_function | pentalenene synthase activity |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Motif: {"description":"DDXXD motif"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 9 |
| Details | M-CSA 89 |
| Chain | Residue | Details |
| A | HIS76 | electrostatic stabiliser, van der waals interaction |
| A | PHE77 | electrostatic stabiliser, steric role, van der waals interaction |
| A | ASP80 | metal ligand |
| A | ASP84 | metal ligand |
| A | ARG157 | electrostatic stabiliser |
| A | ARG173 | electrostatic stabiliser |
| A | ASN219 | electrostatic stabiliser, metal ligand, polar/non-polar interaction, steric role |
| A | TRP308 | electrostatic stabiliser, van der waals interaction |
| A | HIS309 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 13 |
| Details | M-CSA 89 |
| Chain | Residue | Details |
| B | HIS76 | electrostatic stabiliser, van der waals interaction |
| B | GLU227 | metal ligand |
| B | ARG230 | electrostatic stabiliser |
| B | TRP308 | electrostatic stabiliser, van der waals interaction |
| B | HIS309 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| B | PHE77 | electrostatic stabiliser, steric role, van der waals interaction |
| B | ASP80 | metal ligand |
| B | ASP84 | metal ligand |
| B | ARG157 | electrostatic stabiliser |
| B | ARG173 | electrostatic stabiliser |
| B | ASN219 | electrostatic stabiliser, metal ligand, polar/non-polar interaction, steric role |
| B | SER223 | metal ligand |
| B | LYS226 | electrostatic stabiliser |
