MolNFT v1 · #180191 · protein
Stimulating state of a truncated HSP70 dnak fused with a substrate peptide
7KRU · Chaperone protein dnak fused with substrate peptide: “Stimulating state of a truncated HSP70 dnak fused with a substrate peptide”. X-ray diffraction, 3 ligands (ATP, MG, SO4), 9 pockets (best druggability 0.88). MolNFT v1 #180191 on…
- PDB
- 7KRU
- Type
- protein
- Length
- 1,079 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chaperone protein dnak fused with substrate peptide
- UniProt
- A0A6D2W465
- Ligands
- ATP, MG, SO4
- Pockets
- 9 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Chaperone protein dnak fused with substrate peptide | protein | 541 | 35% helix, 33% strand | A0A6D2W465 |
| A | Chaperone protein dnak fused with substrate peptide | protein | 538 | 35% helix, 34% strand | A0A6D2W465 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, A
- MG · Magnesium ion · metal · 2 copies · chains B, A
- SO4 · Sulfate ion · ion · 9 copies · chains B, A
- PDO · 1,3-propandiol · additive · 2 copies · chains B, A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1187 | 0.88 | 0.89 | 144 | MG, ATP |
| 2 | 1116 | 0.82 | 0.83 | 83 | SO4 |
| 3 | 614 | 0.77 | 0.83 | 66 | PDO, GOL |
| 4 | 645 | 0.75 | 0.81 | 64 | SO4, PDO |
| 5 | 255 | 0.71 | 0.86 | 36 | SO4 |
Interfaces
1 interface between chains.
- B–A · 1389 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7KRU · Stimulating state of a truncated Hsp70 DnaK fused with a substrate peptide · the same entry in another collection · chain B against B, 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 A0A6D2W465
- Elsewhere: RCSB PDB 7KRU · PDBe 7KRU · UniProt A0A6D2W465
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