MolNFT v1 · #169568 · protein
Full-length human mitochondrial HSP90 (TRAP1) with ADP-BEF3
6XG6 · Heat shock protein 75 kda, mitochondrial, fibronectin…: “Full-length human mitochondrial HSP90 (TRAP1) with ADP-BEF3”. Electron microscopy, 4 ligands (ADP, BEF, MG), 20 pockets (best druggability 0.80). MolNFT v1 #169568 on…
- PDB
- 6XG6
- Type
- protein
- Length
- 1,220 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein 75 kda, mitochondrial, fibronectin binding protein fusion
- UniProt
- Q12931, Q8G9G1
- Ligands
- ADP, BEF, MG, K
- Pockets
- 20 · best druggability 0.80
Structure
electron microscopy · 2 distinct chains · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein 75 kda, mitochondrial, fibronectin binding protein fusion | protein | 607 | 39% helix, 19% strand | Q12931, Q8G9G1 |
| B | Heat shock protein 75 kda, mitochondrial, fibronectin binding protein fusion | protein | 613 | 41% helix, 18% strand | Q12931, Q8G9G1 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 284 | 0.80 | 0.91 | 36 | ADP, BEF, MG, K |
| 2 | 288 | 0.79 | 0.91 | 38 | ADP, BEF, MG, K |
| 3 | 1052 | 0.78 | 0.80 | 76 | empty |
| 4 | 307 | 0.68 | 0.83 | 35 | empty |
| 5 | 253 | 0.67 | 0.84 | 45 | empty |
Interfaces
1 interface between chains.
- A–B · 5724 Ų buried · 82 hydrogen bonds · protein-protein
Compared structures
- 6XG6 · Full-length human mitochondrial Hsp90 (TRAP1) with ADP-BeF3 · the same entry in another collection · chain A against A, TM-score 1.00
- Q12931 · AlphaFold monomer V2.0 prediction for heat shock protein 75 kda, mitochondrial (Q12931) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q12931
- Every structure of UniProt Q8G9G1
- Elsewhere: RCSB PDB 6XG6 · PDBe 6XG6 · UniProt Q12931 · UniProt Q8G9G1
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