MolNFT v1 · #140845 · protein
Crystal structure of kas III from acinetobacter baumannii
5YO9 · 3-oxoacyl-[acyl-carrier-(acp)] synthase III C terminal…: “Crystal structure of kas III from acinetobacter baumannii”. X-ray diffraction, 1 ligand (COA), 13 pockets (best druggability 0.80). MolNFT v1 #140845 on GenesisL1: 3D…
- PDB
- 5YO9
- Type
- protein
- Length
- 737 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-(acp)] synthase III C terminal family protein
- EC
- 2.3.1.180, 2.3.1.41
- UniProt
- V5VGF8
- Ligands
- COA
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-(acp)] synthase III C terminal family protein (EC 2.3.1.180, 2.3.1.41) | protein | 371 | 40% helix, 24% strand | V5VGF8 |
| B | 3-oxoacyl-[acyl-carrier-(acp)] synthase III C terminal family protein (EC 2.3.1.180, 2.3.1.41) | protein | 366 | 40% helix, 23% strand | V5VGF8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.80 | 0.98 | 23 | empty |
| 2 | 297 | 0.75 | 0.87 | 42 | GOL, COA |
| 3 | 223 | 0.68 | 0.85 | 40 | GOL |
| 4 | 52 | 0.62 | 0.94 | 21 | empty |
| 5 | 63 | 0.58 | 0.90 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 3380 Ų buried · 65 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5YO9 · Crystal structure of KAS III from Acinetobacter baumannii · 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 V5VGF8
- Elsewhere: RCSB PDB 5YO9 · PDBe 5YO9 · UniProt V5VGF8
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