MolNFT v1 · #139918 · protein

The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain

5XUB · Methyl-accepting chemotaxis sensory transducer: “The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain”. X-ray diffraction, 2 pockets (best druggability 0.51). MolNFT v1 #139918 on GenesisL1: 3D structure, binding…

PDB: 5XUB
Type: protein
Length: 285 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methyl-accepting chemotaxis sensory transducer
UniProt: D0IVL9
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 91% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methyl-accepting chemotaxis sensory transducer	protein	144	91% helix, 0% strand	D0IVL9
B	Methyl-accepting chemotaxis sensory transducer	protein	141	91% helix, 0% strand	D0IVL9

Ligands and binding sites

CIT · Citric acid · additive · 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	73	0.51	0.85	17	CIT
2	70	0.49	0.84	16	CIT

Interfaces

1 interface between chains.

A–B · 185 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

5XUB · The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain · 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 D0IVL9
Elsewhere: RCSB PDB 5XUB · PDBe 5XUB · UniProt D0IVL9

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