MolNFT v1 · #112622 · protein

Cdia-CT/CDII toxin and immunity complex from yersinia pseudotuberculosis

4ZQU · Cdia-ct toxin, conserved domain protein: “Cdia-CT/CDII toxin and immunity complex from yersinia pseudotuberculosis”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.57). MolNFT v1 #112622 on GenesisL1: 3D structure…

PDB: 4ZQU
Type: protein
Length: 298 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cdia-ct toxin, conserved domain protein; Cdii toxin
UniProt: A7FE33
Ligands: CL
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cdia-ct toxin, conserved domain protein	protein	124	35% helix, 26% strand	A7FE33
B	Cdii toxin	protein	174	31% helix, 28% strand	—

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	258	0.57	0.78	32	CL
2	53	0.27	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 1180 Å² buried · 22 hydrogen bonds · protein-protein

Compared structures

4ZQU · CdiA-CT/CdiI toxin and immunity complex from Yersinia pseudotuberculosis · the same entry in another collection · chain A against A, TM-score 1.00

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 A7FE33
Elsewhere: RCSB PDB 4ZQU · PDBe 4ZQU · UniProt A7FE33

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