MolNFT v1 · #113825 · protein
HSP72 with adenosine-derived inhibitor
5AR0 · Heat shock 70 kda protein 1A: “HSP72 with adenosine-derived inhibitor”. X-ray diffraction, 2 ligands (GB8, CL), 1 pocket (best druggability 0.76). MolNFT v1 #113825 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AR0
- Type
- protein
- Length
- 379 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock 70 kda protein 1A
- EC
- 3.6.3.51
- UniProt
- P0DMV8
- Ligands
- GB8, CL
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock 70 kda protein 1A (EC 3.6.3.51) | protein | 379 | 40% helix, 28% strand | P0DMV8 |
Ligands and binding sites
- GB8 · (2R,3R,4S,5R)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol · ligand · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- DMS · Dimethyl sulfoxide · 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 | 690 | 0.76 | 0.82 | 62 | GB8, GOL |
Compared structures
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 P0DMV8
- Elsewhere: RCSB PDB 5AR0 · PDBe 5AR0 · UniProt P0DMV8
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