MolNFT v1 · #53729 · protein
Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III, fabh from pseudomonas aeruginosa PAO1
2X3E · 3-oxoacyl-[acyl-carrier-protein] synthase 3: “Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III, fabh from pseudomonas aeruginosa PAO1”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #53729 on…
- PDB
- 2X3E
- 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
- EC
- 2.3.1.180
- UniProt
- Q9HYR2
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.180) | protein | 325 | 41% helix, 26% strand | Q9HYR2 |
| B | 3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.180) | protein | 317 | 41% helix, 27% strand | Q9HYR2 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 512 | 0.78 | 0.85 | 66 | empty |
| 2 | 106 | 0.72 | 0.93 | 25 | empty |
| 3 | 121 | 0.70 | 0.91 | 30 | empty |
| 4 | 107 | 0.40 | 0.76 | 27 | empty |
| 5 | 83 | 0.35 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2395 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 2X3E · Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III, FabH from Pseudomonas… · the same entry in another collection · chain B against B, TM-score 1.00
- Q9HYR2 · 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 Q9HYR2
- Elsewhere: RCSB PDB 2X3E · PDBe 2X3E · UniProt Q9HYR2
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