MolNFT v1 · #125506 · protein
Oceanobacillus iheyensis macrodomain mutant G37V with adpr
5LAU · Macrod-type macrodomain: “Oceanobacillus iheyensis macrodomain mutant G37V with adpr”. X-ray diffraction, 1 ligand (AR6), 1 pocket (best druggability 0.56). MolNFT v1 #125506 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5LAU
- Type
- protein
- Length
- 186 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrod-type macrodomain
- UniProt
- Q8EP31
- Ligands
- AR6
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrod-type macrodomain | protein | 186 | 42% helix, 20% strand | Q8EP31 |
Ligands and binding sites
- AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.56 | 0.80 | 27 | AR6 |
Compared structures
- 5LAU · Oceanobacillus iheyensis macrodomain mutant G37V with ADPR · 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 Q8EP31
- Elsewhere: RCSB PDB 5LAU · PDBe 5LAU · UniProt Q8EP31
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