Research workbench
Crystal structure of the N-terminal domain of an HSP90 from trypanosoma brucei, TB10.26.1080 in the presence of an the inhibitor BIIB021
Analyse Crystal structure of the N-terminal domain of an HSP90 from trypanosoma brucei… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O6O
- Type
- protein
- Length
- 414 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein 83
- UniProt
- Q389P1
- Ligands
- 94M
- Pockets
- 1 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein 83 | protein | 209 | 44% helix, 22% strand | Q389P1 |
| B | Heat shock protein 83 | protein | 205 | 47% helix, 23% strand | Q389P1 |
Ligands and binding sites
- 94M · 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl) methyl]-9H-purin-2-amine · ligand · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains B
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 | 1005 | 0.87 | 0.88 | 116 | 94M, 1PE |
Interfaces
1 interface between chains.
- A–B · 1049 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3O6O · Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei… · 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 Q389P1
- Elsewhere: RCSB PDB 3O6O · PDBe 3O6O · UniProt Q389P1
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