MolNFT v1 · #50452 · protein

ABC-transporter choline binding protein in complex with acetylcholine

2RIN · Putative glycine betaine-binding ABC transporter protein: “ABC-transporter choline binding protein in complex with acetylcholine”. X-ray diffraction, 1 ligand (ACH), 1 pocket (best druggability 0.51). MolNFT v1 #50452 on GenesisL1…

PDB: 2RIN
Type: protein
Length: 576 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative glycine betaine-binding ABC transporter protein
UniProt: Q92N37
Ligands: ACH
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative glycine betaine-binding ABC transporter protein	protein	288	48% helix, 22% strand	Q92N37

Ligands and binding sites

ACH · Acetylcholine · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	183	0.51	0.78	24	empty

Interfaces

1 interface between chains.

A–B · 127 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

2RIN · ABC-transporter choline binding protein in complex with acetylcholine · 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 Q92N37
Elsewhere: RCSB PDB 2RIN · PDBe 2RIN · UniProt Q92N37

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