6WKC
Crystal structure of pentalenene synthase complexed with Mg2+ ions
Functional Information from GO Data
Chain | GOid | namespace | contents |
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 | 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 PDB Data
site_id | AC1 |
Number of Residues | 6 |
Details | binding site for residue MG A 401 |
Chain | Residue |
A | ASP81 |
A | HOH538 |
A | HOH601 |
A | HOH649 |
A | HOH763 |
A | HOH973 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue MG A 402 |
Chain | Residue |
A | HOH635 |
A | HOH882 |
A | HOH1002 |
A | HOH527 |
A | HOH547 |
A | HOH567 |
site_id | AC3 |
Number of Residues | 6 |
Details | binding site for residue MG B 401 |
Chain | Residue |
B | ASP81 |
B | HOH517 |
B | HOH556 |
B | HOH636 |
B | HOH739 |
B | HOH995 |
site_id | AC4 |
Number of Residues | 6 |
Details | binding site for residue MG B 402 |
Chain | Residue |
B | HOH515 |
B | HOH522 |
B | HOH530 |
B | HOH600 |
B | HOH855 |
B | HOH1033 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 6 |
Details | BINDING: |
Chain | Residue | Details |
A | ASP80 | |
A | ASP84 | |
A | ASN219 | |
B | ASP80 | |
B | ASP84 | |
B | ASN219 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | SER223 | |
A | GLU227 | |
B | SER223 | |
B | GLU227 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 13 |
Details | M-CSA 89 |
Chain | Residue | Details |
A | PHE76 | electrostatic stabiliser, van der waals interaction |
A | GLU227 | metal ligand |
A | ARG230 | electrostatic stabiliser |
A | TRP308 | electrostatic stabiliser, van der waals interaction |
A | HIS309 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
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 | SER223 | metal ligand |
A | LYS226 | electrostatic stabiliser |
site_id | MCSA2 |
Number of Residues | 13 |
Details | M-CSA 89 |
Chain | Residue | Details |
B | PHE76 | 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 |