MolNFT v1 · #87090 · protein
Structure of HSP90 with an inhibitor bound
4BQG · HSP90AA1 protein: “Structure of HSP90 with an inhibitor bound”. X-ray diffraction, 1 ligand (50Q), 1 pocket (best druggability 0.68). MolNFT v1 #87090 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4BQG
- Type
- protein
- Length
- 209 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HSP90AA1 protein
- UniProt
- Q2VPJ6
- Ligands
- 50Q
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HSP90AA1 protein | protein | 209 | 45% helix, 22% strand | Q2VPJ6 |
Ligands and binding sites
- 50Q · 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol · ligand · 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 | 287 | 0.68 | 0.83 | 35 | 50Q |
Compared structures
- 4BQG · structure of HSP90 with an inhibitor bound · 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 Q2VPJ6
- Elsewhere: RCSB PDB 4BQG · PDBe 4BQG · UniProt Q2VPJ6
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