Chlorine in PDB 7c6n: Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotetraose (Form II)

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotetraose (Form II), PDB code: 7c6n 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)	66.53 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.850, 100.170, 133.060, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 22

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotetraose (Form II) (pdb code 7c6n). 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 A Closed State Bound to Cellotetraose (Form II), PDB code: 7c6n:
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 A Closed State Bound to Cellotetraose (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 (W177X) of Abc Transporter in A Closed State Bound to Cellotetraose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:29.6 occ:1.00 N A:ILE193 3.2 20.2 1.0 O A:HOH786 3.2 25.2 1.0 NE1 A:TRP187 3.4 16.1 1.0 CB A:ILE193 3.7 19.5 1.0 CG1 A:ILE193 3.9 20.8 1.0 CA A:ILE193 4.0 20.1 1.0 N A:VAL194 4.0 20.6 1.0 CA A:GLU192 4.0 23.6 1.0 O A:VAL194 4.1 21.7 1.0 C A:GLU192 4.1 20.9 1.0 CE2 A:TRP187 4.1 15.5 1.0 CZ2 A:TRP187 4.1 15.1 1.0 CD1 A:ILE193 4.2 22.4 1.0 CB A:GLU192 4.2 28.2 1.0 CG A:GLU192 4.5 35.1 1.0 CD1 A:TRP187 4.5 16.2 1.0 NH2 A:ARG363 4.5 27.1 1.0 CD A:PRO366 4.6 26.8 1.0 C A:ILE193 4.6 19.5 1.0 CG2 A:VAL194 4.8 22.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotetraose (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 (W177X) of Abc Transporter in A Closed State Bound to Cellotetraose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:28.1 occ:1.00 NE1 A:TRP386 3.1 19.9 1.0 O A:HOH785 3.1 17.8 1.0 O A:HOH644 3.1 17.8 1.0 CE2 A:PHE217 3.8 20.4 1.0 CE2 A:TRP386 3.8 19.8 1.0 CZ2 A:TRP386 3.9 20.3 1.0 CG A:PRO176 3.9 38.1 1.0 CD2 A:LEU382 3.9 28.2 1.0 CB A:ASN181 3.9 17.7 1.0 CD1 A:TRP386 4.2 20.1 1.0 CB A:ALA182 4.3 15.4 1.0 N A:ALA182 4.4 15.6 1.0 CZ A:PHE217 4.4 20.6 1.0 CG A:LEU382 4.6 24.8 1.0 CB A:PRO176 4.6 35.7 1.0 O A:PRO172 4.6 24.2 1.0 ND2 A:ASN181 4.7 20.3 1.0 C A:ASN181 4.7 15.4 1.0 CD2 A:PHE217 4.8 20.9 1.0 CA A:ALA182 4.8 15.1 1.0 CA A:ASN181 4.9 16.5 1.0 CG A:ASN181 4.9 18.8 1.0 O A:HOH829 4.9 29.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotetraose (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 (W177X) of Abc Transporter in A Closed State Bound to Cellotetraose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:27.2 occ:1.00 N B:ILE193 3.2 27.0 1.0 O B:HOH696 3.3 21.4 1.0 NE1 B:TRP187 3.4 20.4 1.0 CB B:ILE193 3.7 25.1 1.0 CG1 B:ILE193 4.0 26.7 1.0 CD B:PRO366 4.0 28.7 1.0 CA B:ILE193 4.0 25.3 1.0 N B:VAL194 4.0 27.4 1.0 CA B:GLU192 4.0 28.0 1.0 C B:GLU192 4.1 27.2 1.0 CB B:GLU192 4.1 31.8 1.0 CE2 B:TRP187 4.1 20.9 1.0 CD1 B:ILE193 4.1 27.0 1.0 CZ2 B:TRP187 4.2 20.4 1.0 O B:VAL194 4.2 32.2 1.0 CD1 B:TRP187 4.4 21.2 1.0 NH2 B:ARG363 4.5 29.4 1.0 CG B:PRO366 4.5 29.7 1.0 C B:ILE193 4.6 25.4 1.0 CG2 B:VAL194 4.9 29.2 1.0 NE B:ARG363 4.9 26.5 1.0 CG B:GLU192 5.0 36.1 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