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MolNFT v1 · #182851 · protein

Crystal structure of the substrate-binding domain of E. COLI dnak in complex with the peptide rkqstialallpllftprr

7N6J · Chaperone protein dnak: “Crystal structure of the substrate-binding domain of E. COLI dnak in complex with the peptide…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.59). MolNFT v1 #182851 on GenesisL1: 3D…

PDB
7N6J
Type
protein
Length
228 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chaperone protein dnak; Alkaline phosphatase peptide
EC
3.1.3.1
UniProt
P0A6Y8, P00634
Ligands
SO4
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChaperone protein dnakprotein21440% helix, 27% strandP0A6Y8
BAlkaline phosphatase peptide (EC 3.1.3.1)protein140% helix, 21% strandP00634

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11500.590.8321empty
21380.480.7822empty

Interfaces

1 interface between chains.

  • A–B · 596 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 7N6J · Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A6Y8 · AlphaFold monomer V2.0 prediction for chaperone protein dnak (P0A6Y8) · a predicted model of the same protein · chain A against A, TM-score 0.47

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