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Crystal structure of N-terminal domain of plasmodium falciparum HSP90 (PF07_0029) bound to ADP
Analyse Crystal structure of N-terminal domain of plasmodium falciparum HSP90… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3K60
- Type
- protein
- Length
- 432 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein 86
- UniProt
- Q8IC05
- Ligands
- ADP, SO4
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heat shock protein 86 | protein | 216 | 40% helix, 25% strand | Q8IC05 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.64 | 0.78 | 44 | ADP |
| 2 | 78 | 0.36 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 897 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3K60 · Crystal structure of N-terminal domain of Plasmodium falciparum Hsp90 (PF07_0029) bound… · 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 Q8IC05
- Elsewhere: RCSB PDB 3K60 · PDBe 3K60 · UniProt Q8IC05
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