Research workbench
Crystal structure of the N-terminal domain of an HSP90 from plasmodium falciparum, PFL1070C in the presence of macbecin
Analyse Crystal structure of the N-terminal domain of an HSP90 from plasmodium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PEJ
- Type
- protein
- Length
- 518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoplasmin homolog
- UniProt
- Q8I0V4
- Ligands
- BC2, SO4
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoplasmin homolog | protein | 258 | 40% helix, 28% strand | Q8I0V4 |
| B | Endoplasmin homolog | protein | 260 | 39% helix, 28% strand | Q8I0V4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 735 | 0.63 | 0.73 | 68 | SO4 |
| 2 | 286 | 0.62 | 0.80 | 27 | BC2 |
| 3 | 285 | 0.61 | 0.79 | 27 | BC2 |
| 4 | 70 | 0.43 | 0.81 | 18 | empty |
| 5 | 70 | 0.39 | 0.79 | 16 | SO4 |
Interfaces
1 interface between chains.
- A–B · 777 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3PEJ · Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum… · 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 Q8I0V4
- Elsewhere: RCSB PDB 3PEJ · PDBe 3PEJ · UniProt Q8I0V4
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