Research workbench
HSP90-alpha N-domain bound to neaca
Analyse HSP90-alpha N-domain bound to neaca in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CYH
- Type
- protein
- Length
- 420 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein HSP 90-alpha
- UniProt
- P07900
- Ligands
- N5A, MG
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heat shock protein HSP 90-alpha | protein | 210 | 42% helix, 22% strand | P07900 |
Ligands and binding sites
- N5A · 5'-N-[(2-amino)ethyl carboxamido] adenosine · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.62 | 0.84 | 27 | empty |
| 2 | 272 | 0.61 | 0.80 | 32 | N5A, MG |
| 3 | 320 | 0.56 | 0.76 | 33 | empty |
| 4 | 94 | 0.33 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 373 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6CYH · Hsp90-alpha N-domain bound to NEACA · 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 6CYH · PDBe 6CYH · UniProt P07900
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