MolNFT v1 · #109664 · protein
Beta-ketoacyl-acyl carrier protein synthase III-2 (FABH2)(C113A) from vibrio cholerae
4X9K · 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2: “Beta-ketoacyl-acyl carrier protein synthase III-2 (FABH2)(C113A) from vibrio cholerae”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.70). MolNFT v1 #109664…
- PDB
- 4X9K
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2
- EC
- 2.3.1.180
- UniProt
- Q9KLJ3
- Ligands
- NA
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 (EC 2.3.1.180) | protein | 358 | 40% helix, 23% strand | Q9KLJ3 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- GOL · Glycerol · additive · chains A
- MLI · Malonate ion · 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 | 393 | 0.70 | 0.82 | 54 | empty |
| 2 | 168 | 0.47 | 0.76 | 25 | empty |
Compared structures
- 4X9K · Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae · the same entry in another collection · chain A against A, TM-score 1.00
- Q9KLJ3 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 3… · 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 Q9KLJ3
- Elsewhere: RCSB PDB 4X9K · PDBe 4X9K · UniProt Q9KLJ3
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