Chlorine in PDB 7c6y: Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form II)

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form II), PDB code: 7c6y 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)	54.03 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.350, 63.250, 103.950, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form II) (pdb code 7c6y). 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 (W41A) of Abc Transporter in An Open State (Form II), PDB code: 7c6y:
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 (W41A) of Abc Transporter in An Open State (Form II)


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 (W41A) of Abc Transporter in An Open State (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:23.2 occ:1.00 N A:ILE194 3.3 15.9 1.0 NE1 A:TRP188 3.3 13.8 1.0 CB A:ILE194 3.7 15.7 1.0 O A:HOH723 3.7 19.7 1.0 CD A:PRO367 3.9 13.3 1.0 CG1 A:ILE194 4.0 18.3 1.0 N A:VAL195 4.0 12.9 1.0 CD1 A:ILE194 4.0 21.9 1.0 CE2 A:TRP188 4.0 11.8 1.0 CA A:ILE194 4.0 14.3 1.0 CZ2 A:TRP188 4.0 11.4 1.0 CB A:GLU193 4.0 20.0 1.0 O A:VAL195 4.1 14.4 1.0 CA A:GLU193 4.1 16.7 1.0 C A:GLU193 4.2 15.6 1.0 O A:HOH629 4.3 26.8 1.0 CD1 A:TRP188 4.4 11.2 1.0 CG A:PRO367 4.5 14.8 1.0 CD1 A:TYR366 4.6 13.4 1.0 C A:ILE194 4.6 14.3 1.0 NH2 A:ARG364 4.7 17.6 1.0 CA A:TYR366 4.8 12.5 1.0 CG2 A:VAL195 4.9 15.8 1.0 CG A:GLU193 5.0 23.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form II)


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 (W41A) of Abc Transporter in An Open State (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:22.0 occ:1.00 O A:HOH919 3.1 33.5 1.0 O A:HOH920 3.2 35.3 1.0 N A:THR365 3.2 12.2 1.0 O A:HOH906 3.3 42.7 1.0 NH1 A:ARG99 3.4 23.9 1.0 O A:THR365 3.7 12.5 1.0 CA A:ALA96 3.8 12.1 1.0 CD A:ARG99 3.8 19.3 1.0 CA A:ARG364 3.9 11.2 1.0 CB A:ALA96 3.9 12.4 1.0 CG A:ARG364 3.9 12.7 1.0 CG2 A:THR365 4.0 15.5 1.0 C A:ARG364 4.1 10.7 1.0 CA A:THR365 4.2 13.3 1.0 C A:THR365 4.3 11.6 1.0 CB A:ARG364 4.4 12.1 1.0 O A:HOH723 4.4 19.7 1.0 CZ A:ARG99 4.5 23.6 1.0 N A:ALA96 4.6 12.6 1.0 NE A:ARG99 4.6 20.8 1.0 O A:HOH879 4.7 35.8 1.0 CB A:THR365 4.7 15.5 1.0 O A:GLY363 4.9 10.9 1.0 CB A:ARG99 4.9 13.4 1.0 C A:ALA96 5.0 11.2 1.0 CG A:ARG99 5.0 16.7 1.0 O A:ALA96 5.0 12.1 1.0 CD A:ARG364 5.0 13.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form II)


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 (W41A) of Abc Transporter in An Open State (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:25.2 occ:1.00 O A:HOH780 3.1 31.8 1.0 N A:ARG397 3.4 17.1 1.0 NH1 A:ARG397 3.4 21.8 1.0 CG A:ARG397 3.8 17.9 1.0 CB A:ARG397 3.8 17.7 1.0 CD A:ARG397 4.0 19.0 1.0 CB A:THR396 4.0 17.8 1.0 CA A:THR396 4.1 17.0 1.0 CA A:ARG397 4.3 16.7 1.0 C A:THR396 4.3 16.1 1.0 OH A:TYR216 4.4 23.4 1.0 CZ A:ARG397 4.5 20.9 1.0 CG2 A:THR396 4.5 19.5 1.0 NE A:ARG397 4.7 19.0 1.0 CZ A:TYR216 4.8 18.8 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