MolNFT v1 · #143500 · protein
Disrupted hydrogen bond network impairs ATPase activity in an HSC70 cysteine mutant
6B1I · Heat shock protein family a (HSP70) member 8: “Disrupted hydrogen bond network impairs ATPase activity in an HSC70 cysteine mutant”. X-ray diffraction, 3 ligands (ADP, MG, PO4), 6 pockets (best druggability 0.75). MolNFT v1 #143500…
- PDB
- 6B1I
- Type
- protein
- Length
- 754 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein family a (HSP70) member 8
- UniProt
- P11142
- Ligands
- ADP, MG, PO4
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heat shock protein family a (HSP70) member 8 | protein | 377 | 40% helix, 29% strand | P11142 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 646 | 0.75 | 0.81 | 69 | MG, PO4, ADP |
| 2 | 533 | 0.75 | 0.83 | 76 | MG, PO4, ADP |
| 3 | 144 | 0.69 | 0.89 | 26 | GOL |
| 4 | 257 | 0.51 | 0.75 | 29 | empty |
| 5 | 132 | 0.41 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 456 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6B1I · Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P11142 · AlphaFold monomer V2.0 prediction for heat shock cognate 71 kda protein (P11142) · a predicted model of the same protein · chain A against A, TM-score 0.87
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 P11142
- Elsewhere: RCSB PDB 6B1I · PDBe 6B1I · UniProt P11142
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