MolNFT v1 · #121961 · protein
PA4534: acetyl CoA complex
5IB0 · Uncharacterized protein PA4534: “PA4534: acetyl CoA complex”. X-ray diffraction, 1 ligand (ACO), 14 pockets (best druggability 0.75). MolNFT v1 #121961 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5IB0
- Type
- protein
- Length
- 959 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein PA4534
- UniProt
- Q9HVP3
- Ligands
- ACO
- Pockets
- 14 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Uncharacterized protein PA4534 | protein | 137 | 37% helix, 31% strand | Q9HVP3 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 4 copies · chains A, B, C, G
- GOL · Glycerol · additive · 10 copies · chains A, B, G, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 422 | 0.75 | 0.85 | 41 | GOL, ACO |
| 2 | 405 | 0.75 | 0.85 | 42 | empty |
| 3 | 362 | 0.73 | 0.84 | 40 | ACO |
| 4 | 391 | 0.73 | 0.83 | 39 | empty |
| 5 | 350 | 0.71 | 0.83 | 41 | empty |
Interfaces
11 interfaces between chains.
- C–D · 2467 Ų buried · 62 hydrogen bonds · protein-protein
- E–F · 2419 Ų buried · 57 hydrogen bonds · protein-protein
- A–B · 2414 Ų buried · 69 hydrogen bonds · protein-protein
- D–E · 306 Ų buried · 1 hydrogen bond · protein-protein
- B–G · 300 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5IB0 · PA4534: acetyl CoA complex · 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 Q9HVP3
- Elsewhere: RCSB PDB 5IB0 · PDBe 5IB0 · UniProt Q9HVP3
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