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Crystal structure of cpxahdc (monoclinic form 1)

Analyse Crystal structure of cpxahdc (monoclinic form 1) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4BIX
Type
protein
Length
454 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sensor protein cpxa
EC
2.7.13.3
UniProt
P0AE82
Ligands
ADP, MG, SO4
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 55% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASensor protein cpxa (EC 2.7.13.3)protein22954% helix, 19% strandP0AE82
BSensor protein cpxa (EC 2.7.13.3)protein22556% helix, 20% strandP0AE82

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15230.740.8267ADP, MG
21010.480.8121empty
31080.450.7922empty
4840.440.8017empty
51140.440.7818empty

Interfaces

1 interface between chains.

  • A–B · 2715 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 4BIX · Crystal structure of CpxAHDC (monoclinic form 1) · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AE82 · AlphaFold monomer V2.0 prediction for sensor histidine kinase cpxa (P0AE82) · a predicted model of the same protein · chain B against A, TM-score 0.75

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