MolNFT v1 · #143504 · protein
Disrupted hydrogen bond network impairs ATPase activity in an HSC70 cysteine mutant
6B1M · Heat shock protein family a (HSP70) member 8: “Disrupted hydrogen bond network impairs ATPase activity in an HSC70 cysteine mutant”. X-ray diffraction, 2 ligands (ANP, MG), 6 pockets (best druggability 0.75). MolNFT v1 #143504 on…
- PDB
- 6B1M
- Type
- protein
- Length
- 756 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
- ANP, MG
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Heat shock protein family a (HSP70) member 8 | protein | 378 | 41% helix, 29% strand | P11142 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains B, A
- MG · Magnesium ion · metal · 2 copies · chains B, A
- GOL · Glycerol · additive · 2 copies · 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 | 675 | 0.75 | 0.81 | 72 | ANP, MG |
| 2 | 582 | 0.75 | 0.82 | 67 | ANP, MG |
| 3 | 57 | 0.63 | 0.93 | 16 | empty |
| 4 | 135 | 0.44 | 0.76 | 24 | empty |
| 5 | 61 | 0.33 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- B–A · 488 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6B1M · Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant · the same entry in another collection · chain B against B, 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 B 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 6B1M · PDBe 6B1M · UniProt P11142
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