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Crystal structure of human TRAP1 with smtin-P01
Analyse Crystal structure of human TRAP1 with smtin-P01 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Z1H
- Type
- protein
- Length
- 432 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
- 4KP
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein 75 kda, mitochondrial | protein | 432 | 36% helix, 23% strand | Q12931 |
Ligands and binding sites
- 4KP · 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.62 | 0.80 | 22 | 4KP |
| 2 | 317 | 0.61 | 0.78 | 44 | empty |
| 3 | 82 | 0.59 | 0.88 | 20 | empty |
| 4 | 93 | 0.36 | 0.75 | 15 | empty |
| 5 | 73 | 0.34 | 0.76 | 18 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
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 4Z1H · PDBe 4Z1H · UniProt Q12931
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