MolNFT v1 · #7545 · protein
Complex structure of the adpr-ase and its substrate ADP-ribose
1G9Q · Hypothetical 23.7 kda protein in icc-tolc intergenic region: “Complex structure of the adpr-ase and its substrate ADP-ribose”. X-ray diffraction, 1 ligand (APR), 4 pockets (best druggability 0.73). MolNFT v1 #7545 on GenesisL1: 3D…
- PDB
- 1G9Q
- Type
- protein
- Length
- 407 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical 23.7 kda protein in icc-tolc intergenic region
- EC
- 3.6.1.13
- UniProt
- Q93K97
- Ligands
- APR
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical 23.7 kda protein in icc-tolc intergenic region (EC 3.6.1.13) | protein | 205 | 27% helix, 37% strand | Q93K97 |
| B | Hypothetical 23.7 kda protein in icc-tolc intergenic region (EC 3.6.1.13) | protein | 202 | 27% helix, 39% strand | Q93K97 |
Ligands and binding sites
- APR · Adenosine-5-diphosphoribose · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 299 | 0.73 | 0.86 | 44 | APR |
| 2 | 327 | 0.65 | 0.81 | 47 | APR |
| 3 | 61 | 0.42 | 0.82 | 18 | empty |
| 4 | 85 | 0.39 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3933 Ų buried · 55 hydrogen bonds · protein-protein
Compared structures
- 1G9Q · Complex structure of the adpr-ase and its substrate ADP-ribose · the same entry in another collection · chain A against A, TM-score 1.00
- Q93K97 · AlphaFold monomer V2.0 prediction for ADP-ribose pyrophosphatase (Q93K97) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q93K97
- Elsewhere: RCSB PDB 1G9Q · PDBe 1G9Q · UniProt Q93K97
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