Research workbench
Disrupted hydrogen bond network impairs ATPase activity in an HSC70 cysteine mutant
Analyse Disrupted hydrogen bond network impairs ATPase activity in an HSC70 cysteine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6B1N
- Type
- protein
- Length
- 755 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
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein family a (HSP70) member 8 | protein | 377 | 42% helix, 29% strand | P11142 |
| B | Heat shock protein family a (HSP70) member 8 | protein | 378 | 41% 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
- GOL · Glycerol · additive · 7 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 581 | 0.76 | 0.83 | 69 | ADP, MG, GOL |
| 2 | 673 | 0.75 | 0.81 | 70 | ADP, MG, GOL |
| 3 | 50 | 0.62 | 0.94 | 16 | empty |
| 4 | 136 | 0.43 | 0.76 | 26 | empty |
| 5 | 51 | 0.31 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 517 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6B1N · 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 0.88
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 6B1N · PDBe 6B1N · UniProt P11142
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