MolNFT v1 · #180442 · protein
Intermediate state (qqq) of near full-length dnak alternatively fused with a substrate peptide
7KZI · Chaperone protein dnak fused with substrate peptide…: “Intermediate state (qqq) of near full-length dnak alternatively fused with a substrate peptide”. X-ray diffraction, 4 ligands (ATP, MG, SO4), 16 pockets (best druggability…
- PDB
- 7KZI
- Type
- protein
- Length
- 1,206 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chaperone protein dnak fused with substrate peptide, chaperone protein dnak fused with…
- UniProt
- A0A6D2W465
- Ligands
- ATP, MG, SO4, CL
- Pockets
- 16 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chaperone protein dnak fused with substrate peptide, chaperone protein dnak fused with substrate peptide | protein | 603 | 36% helix, 29% strand | A0A6D2W465 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 767 | 0.82 | 0.85 | 84 | SO4, ATP, MG |
| 2 | 796 | 0.81 | 0.84 | 88 | ATP, MG, SO4 |
| 3 | 813 | 0.81 | 0.84 | 91 | empty |
| 4 | 623 | 0.80 | 0.85 | 72 | empty |
| 5 | 222 | 0.63 | 0.82 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 2737 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 7KZI · Intermediate state (QQQ) of near full-length DnaK alternatively fused with a substrate… · the same entry in another collection · chain A against A, 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 7KZI · PDBe 7KZI · UniProt A0A6D2W465
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