MolNFT v1 · #63110 · protein
Crystal structure of acetyacetyl-CoA reductase from burkholderia pseudomallei 1710B
3EZL · Acetoacetyl-CoA reductase: “Crystal structure of acetyacetyl-CoA reductase from burkholderia pseudomallei 1710B”. X-ray diffraction, 3 pockets (best druggability 0.53). MolNFT v1 #63110 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3EZL
- Type
- protein
- Length
- 243 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetoacetyl-CoA reductase
- EC
- 1.1.1.36
- UniProt
- Q3JRS9
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetoacetyl-CoA reductase (EC 1.1.1.36) | protein | 243 | 50% helix, 17% strand | Q3JRS9 |
Ligands and binding sites
- P4C · O-acetaldehydyl-hexaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 203 | 0.53 | 0.78 | 30 | empty |
| 2 | 58 | 0.40 | 0.81 | 21 | P4C |
| 3 | 61 | 0.31 | 0.76 | 15 | empty |
Compared structures
- 3EZL · Crystal Structure of Acetoacetyl-CoA Reductase from Burkholderia Pseudomallei 1710b · the same entry in another collection · 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 Q3JRS9
- Elsewhere: RCSB PDB 3EZL · PDBe 3EZL · UniProt Q3JRS9
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