MolNFT v1 · #54033 · protein
Complex of HSP90 N-terminal, SGT1 cs and RAR1 CHORD2 domain
2XCM · Cytosolic heat shock protein 90: “Complex of HSP90 N-terminal, SGT1 cs and RAR1 CHORD2 domain”. X-ray diffraction, 3 ligands (ADP, ZN, MG), 9 pockets (best druggability 0.68). MolNFT v1 #54033 on GenesisL1: 3D structure, binding…
- PDB
- 2XCM
- Type
- protein
- Length
- 758 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosolic heat shock protein 90; SGT1-like protein; RAR1
- UniProt
- Q7XJ80, Q84LL4, Q9FLI9
- Ligands
- ADP, ZN, MG
- Pockets
- 9 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytosolic heat shock protein 90 | protein | 213 | 43% helix, 22% strand | Q7XJ80 |
| C, D | SGT1-like protein | protein | 92 | 7% helix, 47% strand | Q84LL4 |
| E, F | RAR1 | protein | 74 | 5% helix, 30% strand | Q9FLI9 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, E, B, F
- ZN · Zinc ion · metal · 4 copies · chains E, F
- MG · Magnesium ion · metal · 2 copies · chains A, B, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.68 | 0.82 | 39 | ADP, MG |
| 2 | 333 | 0.68 | 0.82 | 34 | ADP, MG |
| 3 | 69 | 0.35 | 0.77 | 20 | empty |
| 4 | 62 | 0.34 | 0.77 | 20 | empty |
| 5 | 75 | 0.32 | 0.74 | 21 | empty |
Interfaces
6 interfaces between chains.
- A–D · 901 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 875 Ų buried · 17 hydrogen bonds · protein-protein
- A–E · 644 Ų buried · 14 hydrogen bonds · protein-protein
- C–E · 640 Ų buried · 12 hydrogen bonds · protein-protein
- D–F · 640 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2XCM · Complex of HSP90 N-terminal, SGT1 cs and RAR1 CHORD2 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
- Every structure of UniProt Q9FLI9
- Elsewhere: RCSB PDB 2XCM · PDBe 2XCM · UniProt Q7XJ80 · UniProt Q84LL4 · UniProt Q9FLI9
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