MolNFT v1 · #50325 · protein

Crystal structure of chox in an unliganded closed conformation

2RF1 · Putative glycine betaine-binding ABC transporter protein: “Crystal structure of chox in an unliganded closed conformation”. X-ray diffraction, 2 pockets (best druggability 0.47). MolNFT v1 #50325 on GenesisL1: 3D structure, binding…

PDB: 2RF1
Type: protein
Length: 579 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
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative glycine betaine-binding ABC transporter protein	protein	290	43% helix, 21% strand	Q92N37
B	Putative glycine betaine-binding ABC transporter protein	protein	289	49% helix, 21% strand	Q92N37

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	124	0.47	0.79	17	empty
2	69	0.31	0.74	13	empty

Interfaces

1 interface between chains.

A–B · 294 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

2RF1 · Crystal structure of ChoX in an unliganded closed conformation · 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 2RF1 · PDBe 2RF1 · UniProt Q92N37

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