3HLB
Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016218 | molecular_function | polyketide synthase activity |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0017000 | biological_process | antibiotic biosynthetic process |
| A | 0030639 | biological_process | polyketide biosynthetic process |
| A | 0050832 | biological_process | defense response to fungus |
| A | 0140735 | biological_process | lovastatin biosynthetic process |
| B | 0016218 | molecular_function | polyketide synthase activity |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0017000 | biological_process | antibiotic biosynthetic process |
| B | 0030639 | biological_process | polyketide biosynthetic process |
| B | 0050832 | biological_process | defense response to fungus |
| B | 0140735 | biological_process | lovastatin biosynthetic process |
| C | 0016218 | molecular_function | polyketide synthase activity |
| C | 0016746 | molecular_function | acyltransferase activity |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0017000 | biological_process | antibiotic biosynthetic process |
| C | 0030639 | biological_process | polyketide biosynthetic process |
| C | 0050832 | biological_process | defense response to fungus |
| C | 0140735 | biological_process | lovastatin biosynthetic process |
| D | 0016218 | molecular_function | polyketide synthase activity |
| D | 0016746 | molecular_function | acyltransferase activity |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0017000 | biological_process | antibiotic biosynthetic process |
| D | 0030639 | biological_process | polyketide biosynthetic process |
| D | 0050832 | biological_process | defense response to fungus |
| D | 0140735 | biological_process | lovastatin biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 414 |
| Chain | Residue |
| A | ARG260 |
| B | HIS243 |
| B | ARG244 |
| B | ASN245 |
| B | SER246 |
| B | ARG252 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 414 |
| Chain | Residue |
| C | ARG400 |
| C | PRO332 |
| C | MET333 |
| C | ARG396 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 414 |
| Chain | Residue |
| D | ALA75 |
| D | SER76 |
| D | GLY365 |
| D | GLY366 |
| D | GLU388 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 415 |
| Chain | Residue |
| B | ALA75 |
| B | SER76 |
| B | GLY365 |
| B | GLY366 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 414 |
| Chain | Residue |
| A | ALA75 |
| A | SER76 |
| A | GLY365 |
| A | GLY366 |
| A | SO4416 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 416 |
| Chain | Residue |
| B | PRO332 |
| B | MET333 |
| B | ARG396 |
| B | ARG400 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 415 |
| Chain | Residue |
| C | ALA75 |
| C | SER76 |
| C | GLY365 |
| C | GLY366 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 415 |
| Chain | Residue |
| D | HIS243 |
| D | ARG244 |
| D | ASN245 |
| D | SER246 |
| D | ARG252 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 416 |
| Chain | Residue |
| C | HIS243 |
| C | ARG244 |
| C | ASN245 |
| C | SER246 |
| C | ARG252 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 416 |
| Chain | Residue |
| D | PRO332 |
| D | MET333 |
| D | ARG396 |
| D | ARG400 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 415 |
| Chain | Residue |
| A | HIS243 |
| A | ARG244 |
| A | SER246 |
| A | ARG252 |
| B | SER256 |
| B | ARG260 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 416 |
| Chain | Residue |
| A | ARG73 |
| A | ALA75 |
| A | ARG260 |
| A | ASP262 |
| A | GLN270 |
| A | GLY271 |
| A | SO4414 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 417 |
| Chain | Residue |
| A | PRO332 |
| A | MET333 |
| A | ARG396 |
| A | ARG400 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Acyl-ester intermediate => ECO:0000269|PubMed:17113998, ECO:0000269|PubMed:19875080 |
| Chain | Residue | Details |
| A | SER76 | |
| B | SER76 | |
| C | SER76 | |
| D | SER76 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ARG73 | |
| B | TYR188 | |
| B | TYR258 | |
| B | GLY366 | |
| B | GLU388 | |
| B | TRP390 | |
| C | ARG73 | |
| C | ARG173 | |
| C | TYR188 | |
| C | TYR258 | |
| C | GLY366 | |
| A | ARG173 | |
| C | GLU388 | |
| C | TRP390 | |
| D | ARG73 | |
| D | ARG173 | |
| D | TYR188 | |
| D | TYR258 | |
| D | GLY366 | |
| D | GLU388 | |
| D | TRP390 | |
| A | TYR188 | |
| A | TYR258 | |
| A | GLY366 | |
| A | GLU388 | |
| A | TRP390 | |
| B | ARG73 | |
| B | ARG173 |
