MolNFT v1 · #107684 · protein

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

4UHK · Transcriptional regulatory protein cpxr: “Crystal structure of the receiver domain of cpxr from E. COLI (phosphorylated)”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.56). MolNFT v1 #107684 on GenesisL1: 3D…

PDB: 4UHK
Type: protein
Length: 386 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: 4 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulatory protein cpxr	protein	130	48% helix, 18% strand	P0AE88
B, C	Transcriptional regulatory protein cpxr	protein	128	49% helix, 18% strand	P0AE88

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

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	256	0.56	0.77	29	empty
2	165	0.55	0.80	21	empty
3	116	0.48	0.80	19	empty
4	105	0.39	0.77	17	empty

Interfaces

2 interfaces between chains.

B–C · 1468 Å² buried · 29 hydrogen bonds · protein-protein
A–B · 231 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (phosphorylation).

Compared structures

4UHK · Crystal structure of the receiver domain of CpxR from E. coli (phosphorylated) · 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 0.93

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0AE88
Elsewhere: RCSB PDB 4UHK · PDBe 4UHK · UniProt P0AE88

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