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Structure of a opubc mutant with bound glycine betaine

Analyse Structure of a opubc mutant with bound glycine betaine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6EYH
Type: protein
Length: 280 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Choline binding protein opubc
UniProt: Q45462
Ligands: DQY
Pockets: 2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Choline binding protein opubc	protein	280	48% helix, 20% strand	Q45462

Ligands and binding sites

DQY · 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid · ligand · chains A

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	276	0.69	0.84	44	DQY
2	123	0.38	0.74	20	empty

Compared structures

6EYH · Structure of a OpuBC mutant with bound Glycine betaine · the same entry in another collection · chain A against A, TM-score 1.00
Q45462 · AlphaFold monomer V2.0 prediction for choline-binding protein (Q45462) · a predicted model of the same protein · chain A against A, TM-score 0.87

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 Q45462
Elsewhere: RCSB PDB 6EYH · PDBe 6EYH · UniProt Q45462

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