Chlorine in PDB 7c66: Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellobiose

The structure of Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellobiose, PDB code: 7c66 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)	55.65 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.240, 110.820, 110.910, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24.8

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellobiose (pdb code 7c66). 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 of Abc Transporter in A Closed State Bound to Cellobiose, PDB code: 7c66:
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 of Abc Transporter in A Closed State Bound to Cellobiose


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 of Abc Transporter in A Closed State Bound to Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:20.2 occ:1.00 O A:HOH719 2.9 22.8 1.0 N A:ILE194 3.2 21.7 1.0 O A:HOH655 3.3 16.1 1.0 NE1 A:TRP188 3.4 18.9 1.0 CB A:ILE194 3.7 19.6 1.0 CB A:GLU193 3.7 26.9 1.0 CG1 A:ILE194 3.8 19.8 1.0 N A:VAL195 3.9 21.4 1.0 CA A:ILE194 4.0 20.7 1.0 CA A:GLU193 4.1 24.6 1.0 C A:GLU193 4.1 23.9 1.0 CE2 A:TRP188 4.2 18.6 1.0 O A:VAL195 4.3 28.2 1.0 CD1 A:TYR366 4.3 19.9 1.0 CZ2 A:TRP188 4.3 18.4 1.0 CD A:PRO367 4.4 21.3 1.0 CD1 A:TRP188 4.4 19.5 1.0 C A:ILE194 4.5 20.7 1.0 CG2 A:VAL195 4.6 22.2 1.0 NH2 A:ARG364 4.6 26.0 1.0 CA A:TYR366 4.7 20.5 1.0 CG A:GLU193 4.8 31.7 1.0 O A:THR365 4.8 22.5 1.0 CB A:TYR366 5.0 20.5 1.0 CA A:VAL195 5.0 23.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellobiose


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 of Abc Transporter in A Closed State Bound to Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:42.3 occ:1.00 N A:GLY42 3.3 16.8 1.0 O A:HOH774 3.4 27.1 1.0 O A:HOH746 3.5 21.7 1.0 O A:HOH741 3.5 15.3 1.0 O B:HOH741 3.7 31.2 1.0 O A:HOH790 3.7 27.7 1.0 CA A:GLY42 3.9 16.6 1.0 N A:TRP41 4.2 17.7 1.0 C A:TRP41 4.3 17.2 1.0 CB A:TRP41 4.3 15.8 1.0 CA A:TRP41 4.4 17.1 1.0 CB A:ASP40 4.5 22.5 1.0 O A:HOH732 4.5 18.4 1.0 C A:ASP40 4.8 18.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellobiose


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 of Abc Transporter in A Closed State Bound to Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:22.0 occ:1.00 O B:HOH667 3.1 17.8 1.0 NE1 B:TRP188 3.3 18.0 1.0 N B:ILE194 3.3 21.3 1.0 CG1 B:ILE194 3.8 20.3 1.0 CB B:ILE194 3.8 20.5 1.0 CB B:GLU193 3.8 26.1 1.0 N B:VAL195 4.0 23.0 1.0 CA B:ILE194 4.1 21.0 1.0 CE2 B:TRP188 4.1 17.2 1.0 CA B:GLU193 4.2 23.6 1.0 CZ2 B:TRP188 4.2 17.6 1.0 C B:GLU193 4.2 23.0 1.0 CD1 B:TYR366 4.2 20.4 1.0 O B:VAL195 4.3 26.6 1.0 CD1 B:TRP188 4.4 17.9 1.0 CD B:PRO367 4.5 26.2 1.0 CG2 B:VAL195 4.6 22.8 1.0 C B:ILE194 4.6 22.1 1.0 NH2 B:ARG364 4.7 22.5 1.0 CA B:TYR366 4.8 22.8 1.0 O B:THR365 4.9 21.7 1.0 CG B:GLU193 4.9 28.3 1.0 CD1 B:ILE194 5.0 21.1 1.0 CE1 B:TYR366 5.0 19.9 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