MolNFT v1 · #135328 · protein
Crystal structure of mitochondrial HSP90 (TRAP1) with ATP in absence of mg, hemi-hydrolyzed
5TVW · TNF receptor-associated protein 1: “Crystal structure of mitochondrial HSP90 (TRAP1) with ATP in absence of mg, hemi-hydrolyzed”. X-ray diffraction, 3 ligands (ADP, ATP, CO), 18 pockets (best druggability 0.80). MolNFT v1 #135328 on…
- PDB
- 5TVW
- Type
- protein
- Length
- 1,186 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TNF receptor-associated protein 1
- UniProt
- A8WFV1
- Ligands
- ADP, ATP, CO
- Pockets
- 18 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TNF receptor-associated protein 1 | protein | 587 | 41% helix, 21% strand | A8WFV1 |
| B | TNF receptor-associated protein 1 | protein | 599 | 43% helix, 21% strand | A8WFV1 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains B
- CO · Cobalt (II) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.80 | 0.92 | 42 | ATP |
| 2 | 284 | 0.79 | 0.91 | 41 | ADP |
| 3 | 1044 | 0.73 | 0.76 | 87 | empty |
| 4 | 96 | 0.69 | 0.93 | 27 | empty |
| 5 | 448 | 0.61 | 0.76 | 49 | empty |
Interfaces
1 interface between chains.
- A–B · 5470 Ų buried · 73 hydrogen bonds · protein-protein
Compared structures
- 5TVW · 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 5TVW · PDBe 5TVW · UniProt A8WFV1
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