Research workbench
Complex of HSP90 N-terminal and SGT1 cs domain
Analyse Complex of HSP90 N-terminal and SGT1 cs domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2JKI
- Type
- protein
- Length
- 921 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosolic heat shock protein 90; SGT1-like protein
- UniProt
- Q7XJ80, Q84LL4
- Ligands
- ADP
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Cytosolic heat shock protein 90 | protein | 214 | 40% helix, 23% strand | Q7XJ80 |
| B | Cytosolic heat shock protein 90 | protein | 223 | 38% helix, 22% strand | Q7XJ80 |
| S, T, U | SGT1-like protein | protein | 90 | 7% helix, 47% strand | Q84LL4 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 775 | 0.75 | 0.80 | 63 | ADP |
| 2 | 770 | 0.73 | 0.78 | 59 | ADP |
| 3 | 228 | 0.60 | 0.81 | 29 | ADP |
| 4 | 78 | 0.36 | 0.76 | 18 | empty |
| 5 | 68 | 0.32 | 0.75 | 15 | empty |
Interfaces
5 interfaces between chains.
- B–S · 645 Ų buried · 15 hydrogen bonds · protein-protein
- C–T · 636 Ų buried · 15 hydrogen bonds · protein-protein
- B–T · 633 Ų buried · 15 hydrogen bonds · protein-protein
- A–S · 630 Ų buried · 16 hydrogen bonds · protein-protein
- C–U · 626 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2JKI · Complex of Hsp90 N-terminal and Sgt1 CS 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 Q7XJ80
- Every structure of UniProt Q84LL4
- Elsewhere: RCSB PDB 2JKI · PDBe 2JKI · UniProt Q7XJ80 · UniProt Q84LL4
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