MolNFT v1 · #179573 · protein
Cryptococcus neoformans HSP90 nucleotide binding domain
7K9R · HSP90-like protein: “Cryptococcus neoformans HSP90 nucleotide binding domain”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.84). MolNFT v1 #179573 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7K9R
- Type
- protein
- Length
- 634 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HSP90-like protein
- UniProt
- J9VVA4
- Ligands
- CL
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | HSP90-like protein | protein | 212 | 42% helix, 23% strand | J9VVA4 |
| C | HSP90-like protein | protein | 210 | 42% helix, 23% strand | J9VVA4 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1045 | 0.84 | 0.85 | 84 | empty |
| 2 | 237 | 0.65 | 0.83 | 31 | empty |
| 3 | 238 | 0.50 | 0.75 | 25 | empty |
| 4 | 163 | 0.47 | 0.77 | 25 | empty |
| 5 | 73 | 0.30 | 0.74 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 943 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 360 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 297 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7K9R · Cryptococcus neoformans Hsp90 nucleotide binding domain · 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 J9VVA4
- Elsewhere: RCSB PDB 7K9R · PDBe 7K9R · UniProt J9VVA4
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