Research workbench
Crystal structure of mitochondrial HSP90 (TRAP1) with ATP in absence of mg
Analyse Crystal structure of mitochondrial HSP90 (TRAP1) with ATP in absence of mg in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 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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