Research workbench
Lovastatin polyketide enoyl reductase (lovc) complexed with 2'- phosphoadenosyl isomer of crotonoyl-CoA
Analyse Lovastatin polyketide enoyl reductase (lovc) complexed with 2'- phosphoadenosyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3B6Z
- Type
- protein
- Length
- 352 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl reductase
- UniProt
- Q9Y7D0
- Ligands
- CO7
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl reductase | protein | 352 | 29% helix, 24% strand | Q9Y7D0 |
Ligands and binding sites
- CO7 · S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 671 | 0.79 | 0.83 | 60 | CO7 |
| 2 | 111 | 0.36 | 0.73 | 14 | empty |
Compared structures
- 3B6Z · Lovastatin polyketide enoyl reductase (LovC) complexed with 2'-phosphoadenosyl isomer of… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y7D0 · AlphaFold monomer V2.0 prediction for lovastatin nonaketide synthase, enoyl reductase… · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9Y7D0
- Elsewhere: RCSB PDB 3B6Z · PDBe 3B6Z · UniProt Q9Y7D0
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