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Crystal structure of muke-MUKF(RESIDUES 292-443)-MUKB(HEAD domain)- atpgammas complex, symmetric dimer

Analyse Crystal structure of muke-MUKF(RESIDUES 292-443)-MUKB(HEAD domain)- atpgammas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3EUJ
Type
protein
Length
527 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chromosome partition protein mukb, linker; Chromosome partition protein mukf
UniProt
Q7VL96, Q7VL94
Ligands
AGS, MG
Pockets
11 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChromosome partition protein mukb, linkerprotein43736% helix, 25% strandQ7VL96
BChromosome partition protein mukfprotein9050% helix, 10% strandQ7VL94

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1700.770.9918empty
21780.570.8129AGS, MG
3960.510.8319empty
41270.450.7718empty
51580.430.7525empty

Interfaces

1 interface between chains.

  • A–B · 1298 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 3EUJ · Crystal structure of MukE-MukF(residues 292-443)-MukB(head domain)-ATPgammaS complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7VL96 · AlphaFold monomer V2.0 prediction for chromosome partition protein mukb (Q7VL96) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • Q7VL94 · AlphaFold monomer V2.0 prediction for chromosome partition protein mukf (Q7VL94) · a predicted model of the same protein · chain B against A, TM-score 0.95

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