MolNFT v1 · #95410 · protein
Crystal structure of mitochondrial HSP90 (TRAP1) with amppnp
4IPE · TNF receptor-associated protein 1: “Crystal structure of mitochondrial HSP90 (TRAP1) with amppnp”. X-ray diffraction, 3 ligands (ANP, CO, MG), 20 pockets (best druggability 0.80). MolNFT v1 #95410 on GenesisL1: 3D structure, binding…
- PDB
- 4IPE
- 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
- ANP, CO, MG
- Pockets
- 20 · 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 | 588 | 43% helix, 21% strand | A8WFV1 |
| B | TNF receptor-associated protein 1 | protein | 601 | 41% helix, 21% strand | A8WFV1 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · 4 copies · chains A, B
- MG · Magnesium 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, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 272 | 0.80 | 0.92 | 43 | ANP, MG |
| 2 | 302 | 0.78 | 0.89 | 42 | ANP, MG |
| 3 | 95 | 0.69 | 0.92 | 29 | empty |
| 4 | 631 | 0.66 | 0.75 | 53 | empty |
| 5 | 562 | 0.64 | 0.76 | 64 | empty |
Interfaces
1 interface between chains.
- A–B · 5393 Ų buried · 66 hydrogen bonds · protein-protein
Compared structures
- 4IPE · Crystal structure of mitochondrial Hsp90 (TRAP1) with AMPPNP · 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 4IPE · PDBe 4IPE · UniProt A8WFV1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.