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Crystal structure of the nucleotide exchange factor grpe bound to the ATPase domain of the molecular chaperone dnak

Analyse Crystal structure of the nucleotide exchange factor grpe bound to the ATPase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1DKG
Type
protein
Length
685 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleotide exchange factor grpe; Molecular chaperone dnak
UniProt
P09372, P04475
Pockets
6 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANucleotide exchange factor grpeprotein15853% helix, 22% strandP09372
BNucleotide exchange factor grpeprotein15156% helix, 22% strandP09372
DMolecular chaperone dnakprotein37639% helix, 28% strandP04475

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16210.750.8165empty
23380.740.8656empty
34840.620.7550empty
4880.350.7417empty
5680.330.7517empty

Interfaces

3 interfaces between chains.

  • A–B · 2312 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 1019 Ų buried · 9 hydrogen bonds · protein-protein
  • B–D · 39 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1DKG · Crystal structure of the nucleotide exchange factor grpe bound to the ATPase domain of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P09372 · AlphaFold monomer V2.0 prediction for protein grpe (P09372) · a predicted model of the same protein · chain A against A, TM-score 0.95

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