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Crystal structure of burkholderia pseudomallei effector protein chbp in complex with NEDD8

Analyse Crystal structure of burkholderia pseudomallei effector protein chbp in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4HCP
Type
protein
Length
320 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative ATP/GTP binding protein; NEDD8
UniProt
Q63KH5, Q15843
Ligands
SO4
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative ATP/GTP binding proteinprotein24548% helix, 12% strandQ63KH5
BNEDD8protein7524% helix, 36% strandQ15843

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1980.640.8925empty
21490.430.7631empty
3850.380.7715GOL

Interfaces

1 interface between chains.

  • A–B · 1240 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 4HCP · crystal structure of Burkholderia pseudomallei effector protein chbp in complex with nedd8 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15843 · AlphaFold monomer V2.0 prediction for NEDD8 (Q15843) · a predicted model of the same protein · chain B against A, TM-score 0.91

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