MolNFT v1 · #104455 · protein
The structure of beta-ketoacyl -(acyl carrier protein) synthase II (fabf) from neisseria meningitidis
4QAV · 3-oxoacyl-[acyl-carrier-protein] synthase 2: “The structure of beta-ketoacyl -(acyl carrier protein) synthase II (fabf) from neisseria meningitidis”. X-ray diffraction, 1 ligand (K), 8 pockets (best druggability 0.75). MolNFT v1…
- PDB
- 4QAV
- Type
- protein
- Length
- 824 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
- C6S978
- Ligands
- K
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier-protein] synthase 2 (EC 2.3.1.179) | protein | 412 | 40% helix, 22% strand | C6S978 |
Ligands and binding sites
- K · Potassium ion · metal · 2 copies · chains A, B
- FMT · Formic acid · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.75 | 0.99 | 23 | empty |
| 2 | 67 | 0.59 | 0.89 | 18 | empty |
| 3 | 122 | 0.56 | 0.83 | 27 | empty |
| 4 | 126 | 0.51 | 0.80 | 25 | empty |
| 5 | 54 | 0.42 | 0.83 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2931 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 4QAV · The structure of Beta-ketoacyl -(acyl carrier protein) synthase II (FabF) from Neisseria… · 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 C6S978
- Elsewhere: RCSB PDB 4QAV · PDBe 4QAV · UniProt C6S978
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