MolNFT v1 · #80550 · protein
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FABG)(G92D) from vibrio cholerae
3U09 · 3-oxoacyl-[acyl-carrier-protein] reductase fabg: “Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FABG)(G92D) from vibrio cholerae”. X-ray diffraction, 2 ligands (UNX, SO4), 3 pockets (best druggability 0.67).…
- PDB
- 3U09
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] reductase fabg
- EC
- 1.1.1.100
- UniProt
- Q9KQH7
- Ligands
- UNX, SO4
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier-protein] reductase fabg (EC 1.1.1.100) | protein | 248 | 52% helix, 16% strand | Q9KQH7 |
Ligands and binding sites
- UNX · Unknown atom or ion · ion · 10 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 499 | 0.67 | 0.78 | 44 | SO4, UNX |
| 2 | 476 | 0.65 | 0.77 | 43 | SO4 |
| 3 | 57 | 0.28 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1818 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 3U09 · Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG)(G92D) from Vibrio… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9KQH7 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] reductase fabg… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9KQH7
- Elsewhere: RCSB PDB 3U09 · PDBe 3U09 · UniProt Q9KQH7
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