3ZKY
Isopenicillin N synthase with substrate analogue AhCmC
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0005506 | molecular_function | iron ion binding |
A | 0005737 | cellular_component | cytoplasm |
A | 0005829 | cellular_component | cytosol |
A | 0009058 | biological_process | biosynthetic process |
A | 0016216 | molecular_function | isopenicillin-N synthase activity |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0017000 | biological_process | antibiotic biosynthetic process |
A | 0031418 | molecular_function | L-ascorbic acid binding |
A | 0042318 | biological_process | penicillin biosynthetic process |
A | 0044283 | biological_process | small molecule biosynthetic process |
A | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE FE A 1332 |
Chain | Residue |
A | HIS214 |
A | ASP216 |
A | HIS270 |
A | WT41333 |
A | HOH2176 |
site_id | AC2 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE WT4 A 1333 |
Chain | Residue |
A | TYR189 |
A | PHE211 |
A | HIS214 |
A | ASP216 |
A | LEU231 |
A | HIS270 |
A | VAL272 |
A | SER281 |
A | PRO283 |
A | PHE285 |
A | LEU321 |
A | LEU324 |
A | FE1332 |
A | HOH2179 |
A | HOH2181 |
A | ARG87 |
A | TYR91 |
A | SER183 |
A | ILE187 |
site_id | AC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE SO4 A 1334 |
Chain | Residue |
A | ARG53 |
A | ASP140 |
A | PHE141 |
A | HOH2120 |
A | HOH2125 |
A | HOH2127 |
A | HOH2236 |
A | HOH2237 |
A | HOH2238 |
site_id | AC4 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL A 1335 |
Chain | Residue |
A | TYR43 |
A | LEU223 |
A | TYR224 |
A | GLN225 |
A | SER226 |
A | ALA244 |
A | ASP245 |
A | GLY248 |
A | HOH2190 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 5 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10537113, ECO:0000269|PubMed:28703303, ECO:0000269|PubMed:9194566, ECO:0007744|PDB:1BK0, ECO:0007744|PDB:1QJE, ECO:0007744|PDB:2BJS |
Chain | Residue | Details |
A | ARG87 | |
A | TYR91 | |
A | TYR189 | |
A | ASP216 | |
A | SER281 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10537113, ECO:0000269|PubMed:28703303, ECO:0000269|PubMed:9194566, ECO:0007744|PDB:1QJE, ECO:0007744|PDB:2BJS |
Chain | Residue | Details |
A | SER183 |
site_id | SWS_FT_FI3 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10537113, ECO:0000269|PubMed:9194566, ECO:0007744|PDB:1QJE |
Chain | Residue | Details |
A | HIS214 |
Chain | Residue | Details |
A | HIS270 |
site_id | SWS_FT_FI5 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00805 |
Chain | Residue | Details |
A | ARG279 |
site_id | SWS_FT_FI6 |
Number of Residues | 1 |
Details | SITE: Transition state stabilizer => ECO:0007744|PDB:1QJE |
Chain | Residue | Details |
A | PHE211 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 4 |
Details | M-CSA 145 |
Chain | Residue | Details |
A | PHE211 | polar/non-polar interaction, steric role |
A | HIS214 | metal ligand |
A | ASP216 | metal ligand |
A | HIS270 | metal ligand |