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Crystal structure of the receiver domain of cpxr from E. COLI (orthorhombic form)

Analyse Crystal structure of the receiver domain of cpxr from E. COLI (orthorhombic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4UHJ
Type
protein
Length
373 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulatory protein cpxr
UniProt
P0AE88
Ligands
MG
Pockets
5 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTranscriptional regulatory protein cpxrprotein12648% helix, 18% strandP0AE88
CTranscriptional regulatory protein cpxrprotein12147% helix, 18% strandP0AE88

Ligands and binding sites

  • MG · Magnesium ion · metal · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11880.660.8528empty
21560.560.8220empty
31400.510.8022empty
41310.490.7923empty
5730.290.7321empty

Interfaces

2 interfaces between chains.

  • B–C · 1334 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 462 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 4UHJ · Crystal structure of the receiver domain of CpxR from E. coli (orthorhombic form) · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AE88 · AlphaFold monomer V2.0 prediction for transcriptional regulatory protein cpxr (P0AE88) · a predicted model of the same protein · chain C against A, TM-score 0.95

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