MolNFT v1 · #135326 · protein
Crystal structure of mitochondrial HSP90 (TRAP1) with ATP in absence of mg
5TVU · TNF receptor-associated protein 1: “Crystal structure of mitochondrial HSP90 (TRAP1) with ATP in absence of mg”. X-ray diffraction, 1 ligand (ATP), 20 pockets (best druggability 0.78). MolNFT v1 #135326 on GenesisL1: 3D structure…
- PDB
- 5TVU
- Type
- protein
- Length
- 1,189 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TNF receptor-associated protein 1
- UniProt
- A8WFV1
- Ligands
- ATP
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TNF receptor-associated protein 1 | protein | 588 | 39% helix, 21% strand | A8WFV1 |
| B | TNF receptor-associated protein 1 | protein | 601 | 41% helix, 21% strand | A8WFV1 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 259 | 0.78 | 0.91 | 47 | ATP |
| 2 | 299 | 0.76 | 0.88 | 41 | ATP |
| 3 | 814 | 0.68 | 0.75 | 71 | empty |
| 4 | 581 | 0.65 | 0.76 | 59 | empty |
| 5 | 191 | 0.53 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 5441 Ų buried · 66 hydrogen bonds · protein-protein
Compared structures
- 5TVU · Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg · 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 A8WFV1
- Elsewhere: RCSB PDB 5TVU · PDBe 5TVU · UniProt A8WFV1
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