MolNFT v1 · #140220 · protein
Structure of TRAP1 complexed with DN320
5Y3O · Heat shock protein 75 kda, mitochondrial: “Structure of TRAP1 complexed with DN320”. X-ray diffraction, 1 ligand (8M9), 7 pockets (best druggability 0.67). MolNFT v1 #140220 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5Y3O
- Type
- protein
- Length
- 433 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein 75 kda, mitochondrial
- UniProt
- Q12931
- Ligands
- 8M9
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein 75 kda, mitochondrial | protein | 433 | 37% helix, 24% strand | Q12931 |
Ligands and binding sites
- 8M9 · 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl) methyl]pyrazolo[3,4-d]pyrimidin-6-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.67 | 0.84 | 30 | 8M9 |
| 2 | 189 | 0.48 | 0.76 | 28 | empty |
| 3 | 91 | 0.43 | 0.79 | 18 | empty |
| 4 | 52 | 0.36 | 0.80 | 20 | empty |
| 5 | 83 | 0.36 | 0.75 | 16 | empty |
Compared structures
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
- Elsewhere: RCSB PDB 5Y3O · PDBe 5Y3O · UniProt Q12931
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