MolNFT v2 · #203505 · protein
WelO5* bound to Zn(II), Cl, and 2-oxoglutarate
8ACV · Oxidoreductase: “WelO5* bound to Zn(II), Cl, and 2-oxoglutarate”. X-ray diffraction at 2.26, 3 ligands (AKG, ZN, CL), 7 pockets (best druggability 0.81). MolNFT v2 #203505 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 8ACV
- Type
- protein
- Length
- 551 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.26
- Source
- Hapalosiphon welwitschii UH IC-52-3
- Molecule
- Oxidoreductase
- UniProt
- A0A075X7C6
- Ligands
- AKG, ZN, CL
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · resolution 2.26 · 2 distinct chains · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase | protein | 275 | 32% helix, 28% strand | A0A075X7C6 |
| B | Oxidoreductase | protein | 276 | 29% helix, 28% strand | A0A075X7C6 |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 288 | 0.81 | 0.92 | 38 | AKG, ZN |
| 2 | 308 | 0.81 | 0.92 | 43 | AKG, CL, ZN, GOL |
| 3 | 584 | 0.75 | 0.82 | 66 | GOL |
| 4 | 103 | 0.43 | 0.78 | 17 | empty |
| 5 | 87 | 0.39 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 632 Ų buried · 15 hydrogen bonds · protein-protein
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 A0A075X7C6
- Elsewhere: RCSB PDB 8ACV · PDBe 8ACV · UniProt A0A075X7C6
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