Chlorine in PDB 7c6g: Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose, PDB code: 7c6g was solved by S.P.Kanaujia, M.Chandravanshi, R.Samanta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.75 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.340, 91.540, 69.390, 90.00, 112.51, 90.00
R / Rfree (%)	17.4 / 22.7

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose (pdb code 7c6g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose, PDB code: 7c6g:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:35.6 occ:1.00 OG1 A:THR171 2.7 20.5 1.0 O A:HOH632 2.9 26.3 1.0 O A:HOH630 3.1 25.4 1.0 CB A:THR171 3.4 22.7 1.0 CB A:ASN181 3.8 20.6 1.0 CG A:ASN181 3.8 21.2 1.0 CB A:ALA251 4.0 19.9 1.0 OD1 A:ASN181 4.0 20.5 1.0 OH A:TYR283 4.1 20.7 1.0 O A:HOH704 4.1 25.2 1.0 CZ A:PHE217 4.2 31.2 1.0 CA A:THR171 4.3 22.6 1.0 O A:HOH612 4.4 26.4 1.0 CE1 A:PHE217 4.4 31.6 1.0 ND2 A:ASN181 4.4 17.6 1.0 CD A:PRO172 4.5 25.7 1.0 CG2 A:THR171 4.6 24.0 1.0 O A:HOH624 4.6 32.3 1.0 CA A:ASN181 4.7 20.2 1.0 O A:CYS170 4.7 22.0 1.0 O A:HOH758 4.8 21.3 1.0 N A:ALA251 4.8 20.1 1.0 O A:ASN181 4.8 21.2 1.0 CA A:ALA251 5.0 19.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:31.7 occ:1.00 NE1 A:TRP187 3.2 22.8 1.0 N A:ILE193 3.3 26.7 1.0 O A:HOH660 3.5 24.0 1.0 CD1 A:ILE193 3.5 32.9 1.0 CD A:PRO366 3.7 26.0 1.0 CB A:ILE193 4.0 27.5 1.0 CE2 A:TRP187 4.0 21.1 1.0 N A:VAL194 4.1 27.7 1.0 CZ2 A:TRP187 4.1 20.6 1.0 CA A:GLU192 4.1 29.3 1.0 CA A:ILE193 4.2 25.8 1.0 C A:GLU192 4.2 28.8 1.0 O A:VAL194 4.2 33.4 1.0 CB A:GLU192 4.3 35.3 1.0 CG A:PRO366 4.3 27.1 1.0 CG1 A:ILE193 4.3 29.1 1.0 CD1 A:TRP187 4.3 21.9 1.0 CD1 A:TYR365 4.4 23.0 1.0 C A:ILE193 4.7 26.2 1.0 CA A:TYR365 4.7 23.1 1.0 NH2 A:ARG363 4.8 26.0 1.0 CG A:GLU192 4.8 39.7 1.0 CG2 A:VAL194 4.8 32.0 1.0 N A:PRO366 5.0 24.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open-Liganded State Bound to Gentiobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:28.0 occ:1.00 O B:HOH694 2.9 43.2 1.0 NE1 B:TRP187 3.2 16.6 1.0 N B:ILE193 3.3 23.0 1.0 O B:HOH735 3.3 20.0 1.0 CD1 B:ILE193 3.7 31.2 1.0 CD B:PRO366 3.7 21.8 1.0 CB B:GLU192 3.8 28.2 1.0 CB B:ILE193 3.9 26.7 1.0 O B:VAL194 4.0 31.2 1.0 CE2 B:TRP187 4.0 17.4 1.0 CA B:GLU192 4.0 25.4 1.0 N B:VAL194 4.1 26.5 1.0 CA B:ILE193 4.1 24.5 1.0 CZ2 B:TRP187 4.1 17.6 1.0 C B:GLU192 4.1 23.6 1.0 CD1 B:TRP187 4.3 16.7 1.0 CG B:PRO366 4.3 23.9 1.0 CG1 B:ILE193 4.4 29.3 1.0 NH2 B:ARG363 4.5 21.0 1.0 C B:ILE193 4.6 25.0 1.0 CD1 B:TYR365 4.6 20.2 1.0 CA B:TYR365 4.8 19.7 1.0 CG2 B:VAL194 4.8 29.2 1.0 C B:VAL194 5.0 28.0 1.0

M.Chandravanshi, R.Samanta, S.P.Kanaujia. Conformational Trapping of A Beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of Abc Importers. J.Mol.Biol. V. 432 5711 2020.
ISSN: ESSN 1089-8638
PubMed: 32866452
DOI: 10.1016/J.JMB.2020.08.021