MolNFT v1 · #66899 · protein
Structure of putative 3-oxoacyl-reductase from bacillus thuringiensis
3I4F · 3-oxoacyl-[acyl-carrier protein] reductase: “Structure of putative 3-oxoacyl-reductase from bacillus thuringiensis”. X-ray diffraction, 10 pockets (best druggability 0.85). MolNFT v1 #66899 on GenesisL1: 3D structure, binding sites…
- PDB
- 3I4F
- Type
- protein
- Length
- 966 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier protein] reductase
- UniProt
- C3ERL8
- Pockets
- 10 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier protein] reductase | protein | 242 | 52% helix, 15% strand | C3ERL8 |
| C | 3-oxoacyl-[acyl-carrier protein] reductase | protein | 240 | 51% helix, 15% strand | C3ERL8 |
| D | 3-oxoacyl-[acyl-carrier protein] reductase | protein | 242 | 52% helix, 15% strand | C3ERL8 |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 791 | 0.85 | 0.88 | 92 | empty |
| 2 | 402 | 0.68 | 0.80 | 43 | empty |
| 3 | 448 | 0.67 | 0.79 | 42 | empty |
| 4 | 431 | 0.67 | 0.79 | 42 | empty |
| 5 | 391 | 0.64 | 0.78 | 41 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1824 Ų buried · 21 hydrogen bonds · protein-protein
- A–D · 1821 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 1288 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 1263 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 116 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3I4F · Structure of putative 3-oxoacyl-reductase from bacillus thuringiensis · 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 C3ERL8
- Elsewhere: RCSB PDB 3I4F · PDBe 3I4F · UniProt C3ERL8
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