Research workbench
Crystal structure of a betaketoacyl-[acp] reductase (fabg) from bacteroides thetaiotaomicron
Analyse Crystal structure of a betaketoacyl-[acp] reductase (fabg) from bacteroides… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NYW
- Type
- protein
- Length
- 893 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oxidoreductase
- UniProt
- Q8A562
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative oxidoreductase | protein | 232 | 52% helix, 19% strand | Q8A562 |
| B | Putative oxidoreductase | protein | 220 | 49% helix, 20% strand | Q8A562 |
| C | Putative oxidoreductase | protein | 228 | 53% helix, 20% strand | Q8A562 |
| D | Putative oxidoreductase | protein | 213 | 50% helix, 21% strand | Q8A562 |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 487 | 0.74 | 0.83 | 51 | empty |
| 2 | 494 | 0.74 | 0.82 | 47 | empty |
| 3 | 574 | 0.70 | 0.79 | 49 | empty |
| 4 | 330 | 0.70 | 0.83 | 48 | empty |
| 5 | 83 | 0.42 | 0.79 | 15 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1254 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1243 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1217 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1193 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 31 modified (engineered).
Compared structures
- 3NYW · Crystal Structure of a betaketoacyl-[ACP] reductase (FabG) from Bacteroides… · 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 Q8A562
- Elsewhere: RCSB PDB 3NYW · PDBe 3NYW · UniProt Q8A562
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