3HLD
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Transesterase | polymer | 432 | 48163.7 | 1 | UniProt (Q9Y7D1) | Aspergillus terreus | LovD |
| 2 | B, C (A) | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid | non-polymer | 338.4 | 2 | Chemie (MJA) PubChem (57675771) PubChem (59977317) PubChem (60081696) PubChem (67234850) PubChem (70898774) PubChem (89796849) PubChem (89796858) PubChem (9840816) PubChem (9905880) PubChem (71173611) PubChem (11772106) PubChem (14782650) PubChem (101381168) PubChem (133688145) PubChem (163551720) PubChem (166772088) | |||
| 3 | D, E, F, G (A) | FORMIC ACID | non-polymer | 46.0 | 4 | Chemie (FMT) PubChem (284) | |||
| 4 | H (A) | water | water | 18.0 | 275 | Chemie (HOH) |
Sequence modifications
A: 1 - 413 (UniProt: Q9Y7D1)
| PDB | External Database | Details |
|---|---|---|
| Gly -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Ser -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Arg -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Gly 12 | Asp 12 | engineered mutation |
| Glu 26 | Lys 26 | engineered mutation |
| Ala 40 | Cys 40 | engineered mutation |
| Asn 60 | Cys 60 | engineered mutation |
| Val 86 | Ala 86 | engineered mutation |
| Tyr 161 | His 161 | engineered mutation |
| Thr 190 | Ala 190 | engineered mutation |
| Ser 275 | Gly 275 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 48163.7 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 861.0 | |
| All* | Total formula weight | 49024.6 |






