Research workbench
Structure of human ARH3 E41A bound to alpha-NAD+ and magnesium
Analyse Structure of human ARH3 E41A bound to alpha-NAD+ and magnesium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7ARW
- Type
- protein
- Length
- 660 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ADP-ribose glycohydrolase ARH3
- EC
- 3.5.1.-, 3.2.1.143, 3.2.2.-
- UniProt
- Q9NX46
- Ligands
- 8NA, MG
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ADP-ribose glycohydrolase ARH3 (EC 3.5.1.-, 3.2.1.143, 3.2.2.-) | protein | 335 | 68% helix, 1% strand | Q9NX46 |
| B | ADP-ribose glycohydrolase ARH3 (EC 3.5.1.-, 3.2.1.143, 3.2.2.-) | protein | 325 | 66% helix, 1% strand | Q9NX46 |
Ligands and binding sites
- 8NA · alpha-Diphosphopyridine nucleotide · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 12 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.73 | 0.99 | 21 | EDO |
| 2 | 56 | 0.72 | 0.99 | 23 | EDO |
| 3 | 314 | 0.61 | 0.78 | 53 | MG, 8NA |
| 4 | 141 | 0.50 | 0.79 | 29 | MG, 8NA |
| 5 | 207 | 0.49 | 0.76 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 610 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7ARW · Structure of human ARH3 E41A bound to alpha-NAD+ and magnesium · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NX46 · AlphaFold monomer V2.0 prediction for ADP-ribose glycohydrolase ARH3 (Q9NX46) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q9NX46
- Elsewhere: RCSB PDB 7ARW · PDBe 7ARW · UniProt Q9NX46
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.