MolNFT v1 · #86478 · protein
Structure of wild type pseudomonas aeruginosa fabf (kasii)
4B7V · 3-oxoacyl-[acyl-carrier-protein] synthase 2: “Structure of wild type pseudomonas aeruginosa fabf (kasii)”. X-ray diffraction, 1 ligand (K), 6 pockets (best druggability 0.79). MolNFT v1 #86478 on GenesisL1: 3D structure, binding…
- PDB
- 4B7V
- Type
- protein
- Length
- 822 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 2
- EC
- 2.3.1.179
- UniProt
- O54440
- Ligands
- K
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] synthase 2 (EC 2.3.1.179) | protein | 412 | 38% helix, 21% strand | O54440 |
| B | 3-oxoacyl-[acyl-carrier-protein] synthase 2 (EC 2.3.1.179) | protein | 410 | 40% helix, 21% strand | O54440 |
Ligands and binding sites
- K · Potassium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 95 | 0.79 | 0.99 | 30 | empty |
| 2 | 256 | 0.66 | 0.82 | 48 | empty |
| 3 | 78 | 0.64 | 0.91 | 20 | empty |
| 4 | 161 | 0.58 | 0.82 | 39 | empty |
| 5 | 83 | 0.43 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2871 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4B7V · Structure of wild type Pseudomonas aeruginosa FabF (KASII) · 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 O54440
- Elsewhere: RCSB PDB 4B7V · PDBe 4B7V · UniProt O54440
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