Chlorine in PDB 7c6f: Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State, PDB code: 7c6f 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)	53.92 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.210, 63.100, 103.790, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.6

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State (pdb code 7c6f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State, PDB code: 7c6f:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State


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 State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:18.9 occ:1.00 O A:HOH910 2.9 30.7 1.0 O A:HOH926 3.2 33.1 1.0 N A:THR364 3.3 12.8 1.0 NH1 A:ARG99 3.5 21.1 1.0 O A:THR364 3.6 14.2 1.0 CA A:ALA96 3.8 14.5 1.0 CA A:ARG363 3.8 12.3 1.0 CB A:ALA96 3.8 15.1 1.0 CD A:ARG99 3.9 17.1 1.0 CG A:ARG363 4.0 14.0 1.0 C A:ARG363 4.0 12.2 1.0 CG2 A:THR364 4.2 15.2 1.0 CH3 A:ACT507 4.2 49.0 1.0 CA A:THR364 4.3 12.9 1.0 C A:THR364 4.3 13.7 1.0 CB A:ARG363 4.4 12.8 1.0 N A:ALA96 4.5 14.8 1.0 CZ A:ARG99 4.5 19.2 1.0 NE A:ARG99 4.7 18.0 1.0 O A:HOH794 4.7 23.7 1.0 CB A:THR364 4.7 13.9 1.0 O A:HOH714 4.8 17.4 1.0 O A:GLY362 4.8 15.2 1.0 CB A:ARG99 4.9 15.0 1.0 C A:ALA96 4.9 14.5 1.0 O A:HOH907 4.9 38.2 1.0 O A:ALA96 5.0 15.8 1.0 N A:ARG363 5.0 12.7 1.0 CG A:ARG99 5.0 16.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State


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 State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:19.2 occ:1.00 N A:ILE193 3.3 16.9 1.0 NE1 A:TRP187 3.3 14.2 1.0 O A:HOH714 3.3 17.4 1.0 O A:HOH665 3.5 40.9 1.0 CG1 A:ILE193 3.7 18.6 1.0 CB A:ILE193 3.7 16.3 1.0 CB A:GLU192 3.8 20.3 1.0 CD A:PRO366 3.8 15.2 1.0 CE2 A:TRP187 4.0 13.7 1.0 CA A:ILE193 4.0 15.6 1.0 N A:VAL194 4.0 16.0 1.0 CZ2 A:TRP187 4.1 14.0 1.0 CA A:GLU192 4.1 17.3 1.0 O A:VAL194 4.2 18.4 1.0 C A:GLU192 4.2 16.4 1.0 CD1 A:TYR365 4.3 15.8 1.0 CD1 A:TRP187 4.4 14.1 1.0 CG A:PRO366 4.6 16.9 1.0 C A:ILE193 4.6 14.7 1.0 CA A:TYR365 4.6 13.6 1.0 NH2 A:ARG363 4.7 17.2 1.0 CD1 A:ILE193 4.8 18.6 1.0 CG2 A:VAL194 4.8 19.7 1.0 CG A:GLU192 4.9 23.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State


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 State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:23.2 occ:1.00 O A:HOH730 3.0 18.8 1.0 O A:HOH711 3.0 19.3 1.0 NE1 A:TRP386 3.2 17.5 1.0 O A:HOH859 3.3 27.2 1.0 CD2 A:LEU382 3.6 18.7 1.0 CB A:ASN181 3.8 18.7 1.0 CE2 A:PHE217 3.8 18.1 1.0 CE2 A:TRP386 3.9 18.2 1.0 CZ2 A:TRP386 3.9 19.2 1.0 N A:ALA182 4.2 14.1 1.0 CD1 A:TRP386 4.3 16.1 1.0 CZ A:PHE217 4.4 19.1 1.0 CG A:LEU382 4.4 17.8 1.0 CB A:ALA182 4.5 15.7 1.0 C A:ASN181 4.5 14.9 1.0 O A:PRO172 4.6 22.2 1.0 ND2 A:ASN181 4.6 25.1 1.0 CA A:ASN181 4.7 15.3 1.0 CD1 A:LEU382 4.7 18.6 1.0 O A:HOH781 4.7 35.6 1.0 CG A:ASN181 4.8 23.1 1.0 CA A:ALA182 4.8 15.0 1.0 CD2 A:PHE217 4.9 19.6 1.0 CB A:PRO176 4.9 27.1 1.0 N A:ASN181 5.0 14.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in An Open State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:30.6 occ:1.00 O A:HOH726 3.2 40.1 1.0 NH1 A:ARG396 3.3 28.0 1.0 N A:ARG396 3.3 23.0 1.0 CG A:ARG396 3.8 23.9 1.0 CB A:ARG396 4.0 24.8 1.0 CA A:THR395 4.0 24.7 1.0 CD A:ARG396 4.0 26.2 1.0 CB A:THR395 4.0 25.6 1.0 OH A:TYR215 4.1 32.8 1.0 C A:THR395 4.1 23.6 1.0 CA A:ARG396 4.3 23.8 1.0 CZ A:ARG396 4.4 28.1 1.0 NE A:ARG396 4.6 24.7 1.0 CG2 A:THR395 4.6 25.9 1.0 CZ A:TYR215 4.7 29.0 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