MolNFT v1 · #90322 · protein
HSP90 alpha N-terminal domain in complex with an inhibitor 6-hydroxy- 3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid benzyl-methyl-amide
4EFU · Heat shock protein HSP 90-alpha: “HSP90 alpha N-terminal domain in complex with an inhibitor 6-hydroxy…”. X-ray diffraction, 2 ligands (EFU, SO4), 1 pocket (best druggability 0.72). MolNFT v1 #90322 on GenesisL1: 3D structure…
- PDB
- 4EFU
- Type
- protein
- Length
- 207 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein HSP 90-alpha
- UniProt
- P07900
- Ligands
- EFU, SO4
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP 90-alpha | protein | 207 | 45% helix, 23% strand | P07900 |
Ligands and binding sites
- EFU · N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · 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 | 361 | 0.72 | 0.83 | 38 | EFU, SO4 |
Compared structures
- 4EFU · 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 P07900
- Elsewhere: RCSB PDB 4EFU · PDBe 4EFU · UniProt P07900
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