Research workbench
Human HSP90 with 4-chloro-6-(4-(4-(4-methanesulphonyl-benzyl)- pierazin-1-yl)-1H-pyrazol-3-yl)-benzene-1,3-diol
Analyse Human HSP90 with 4-chloro-6-(4-(4-(4-methanesulphonyl-benzyl)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CCU
- Type
- protein
- Length
- 208 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
- 2D9
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP-90 alpha | protein | 208 | 39% helix, 22% strand | P07900 |
Ligands and binding sites
- 2D9 · 4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)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 | 177 | 0.57 | 0.81 | 26 | 2D9 |
Compared structures
- 2CCU · Human HSP90 with 4-chloro-6-(4-(4-(4-methanesulphonyl-benzyl)… · 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 2CCU · PDBe 2CCU · UniProt P07900
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