MolNFT v1 · #120492 · protein
HSP90 alpha N-terminal domain in complex with an inhibitor
5H22 · HSP90AA1 protein: “HSP90 alpha N-terminal domain in complex with an inhibitor”. X-ray diffraction, 1 ligand (7FT), 1 pocket (best druggability 0.69). MolNFT v1 #120492 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5H22
- Type
- protein
- Length
- 209 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HSP90AA1 protein
- UniProt
- A0PJ91
- Ligands
- 7FT
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HSP90AA1 protein | protein | 209 | 44% helix, 23% strand | A0PJ91 |
Ligands and binding sites
- 7FT · 4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine · 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 | 348 | 0.69 | 0.82 | 39 | 7FT |
Compared structures
- 5H22 · Hsp90 alpha N-terminal domain in complex with an inhibitor · 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 A0PJ91
- Elsewhere: RCSB PDB 5H22 · PDBe 5H22 · UniProt A0PJ91
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