Chlorine in PDB 7c6l: Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotriose (Form II)

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotriose (Form II), PDB code: 7c6l 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)	66.61 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.000, 100.340, 133.230, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 26.3

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotriose (Form II) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

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 Cellotriose (Form II) (pdb code 7c6l). 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 A Closed State Bound to Cellotriose (Form II), PDB code: 7c6l:
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 A Closed State Bound to Cellotriose (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 Cellotriose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:40.2 occ:1.00 O A:HOH637 3.1 23.7 1.0 CG A:GLU192 3.2 38.2 1.0 N A:ILE193 3.4 23.8 1.0 NE1 A:TRP187 3.5 22.4 1.0 CB A:ILE193 3.8 23.4 1.0 OE2 A:GLU192 3.9 46.3 1.0 CG1 A:ILE193 3.9 23.4 1.0 CD1 A:ILE193 3.9 24.6 1.0 N A:VAL194 4.0 22.5 1.0 O A:VAL194 4.0 27.1 1.0 CD A:GLU192 4.0 45.9 1.0 CA A:ILE193 4.1 23.2 1.0 CB A:GLU192 4.2 32.3 1.0 CA A:GLU192 4.2 26.7 1.0 CZ2 A:TRP187 4.2 21.2 1.0 CE2 A:TRP187 4.2 21.7 1.0 C A:GLU192 4.3 24.5 1.0 CD A:PRO366 4.5 22.7 1.0 NH2 A:ARG363 4.5 24.6 1.0 C A:ILE193 4.6 23.0 1.0 CD1 A:TRP187 4.6 21.4 1.0 CG2 A:VAL194 4.8 23.9 1.0 C A:VAL194 5.0 26.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotriose (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 Cellotriose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:47.7 occ:1.00 N A:ALA16 3.4 26.4 1.0 CB A:ALA16 3.4 29.3 1.0 N A:PRO15 3.8 27.2 1.0 C A:GLN14 3.9 27.1 1.0 CD A:PRO15 3.9 27.6 1.0 CA A:ALA16 4.0 28.2 1.0 N A:GLU17 4.0 29.8 1.0 CA A:GLN14 4.1 29.1 1.0 CB A:GLN14 4.2 31.3 1.0 O A:GLN14 4.3 26.6 1.0 C A:PRO15 4.4 26.2 1.0 C A:ALA16 4.5 28.0 1.0 CG A:GLN14 4.7 33.1 1.0 CA A:PRO15 4.7 26.4 1.0 CB A:GLU17 4.7 34.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotriose (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 Cellotriose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:45.8 occ:1.00 NA A:NA504 3.3 30.8 1.0 CD2 A:HIS180 3.4 18.9 1.0 OG1 A:THR178 3.6 26.8 1.0 NH1 A:ARG119 3.7 14.8 1.0 O3 C:SHD2 3.7 23.6 1.0 NH2 A:ARG119 4.0 15.8 1.0 C2 C:SHD2 4.1 25.1 1.0 CG A:HIS180 4.1 18.7 1.0 O2 C:SHD2 4.1 27.1 1.0 CB A:HIS180 4.2 18.1 1.0 CZ A:ARG119 4.3 15.2 1.0 C3 C:SHD2 4.4 24.9 1.0 NE2 A:HIS180 4.5 18.6 1.0 OG1 A:THR235 4.7 32.0 1.0 CB A:THR178 4.7 28.8 1.0 CG2 A:THR178 4.8 29.2 1.0 CG2 A:THR235 4.9 32.7 1.0 O4 C:SHD2 4.9 20.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellotriose (Form II)


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 A Closed State Bound to Cellotriose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:38.6 occ:1.00 O B:HOH675 3.0 21.0 1.0 N B:ILE193 3.3 30.8 1.0 NE1 B:TRP187 3.4 23.7 1.0 CB B:ILE193 3.8 30.2 1.0 CB B:GLU192 4.0 33.9 1.0 CD B:PRO366 4.0 33.4 1.0 N B:VAL194 4.1 35.3 1.0 CA B:GLU192 4.1 32.3 1.0 CG1 B:ILE193 4.1 29.0 1.0 CE2 B:TRP187 4.1 22.7 1.0 CA B:ILE193 4.1 31.1 1.0 O B:VAL194 4.2 41.7 1.0 CZ2 B:TRP187 4.2 22.1 1.0 C B:GLU192 4.2 32.1 1.0 CD1 B:ILE193 4.3 29.1 1.0 CD1 B:TRP187 4.5 24.7 1.0 NH2 B:ARG363 4.5 34.2 1.0 CG B:PRO366 4.5 35.5 1.0 C B:ILE193 4.7 32.9 1.0 CG2 B:VAL194 4.8 36.7 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