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Beta-ketoacyl-acp synthase III -2 (FABH2) (C113A) from vibrio cholerae soaked with octanoyl-CoA: conformational changes without clearly bound substrate
Analyse Beta-ketoacyl-acp synthase III -2 (FABH2) (C113A) from vibrio cholerae soaked… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4X9O
- Type
- protein
- Length
- 642 residues
- Chains
- 2
- 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
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 26% 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 | 316 | 38% helix, 27% strand | Q9KLJ3 |
| B | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 (EC 2.3.1.180) | protein | 326 | 39% helix, 26% strand | Q9KLJ3 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 444 | 0.73 | 0.82 | 55 | empty |
| 2 | 254 | 0.66 | 0.82 | 31 | empty |
| 3 | 73 | 0.32 | 0.74 | 25 | empty |
| 4 | 58 | 0.31 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2600 Ų buried · 56 hydrogen bonds · protein-protein
Compared structures
- 4X9O · Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with… · 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 4X9O · PDBe 4X9O · UniProt Q9KLJ3
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