Chlorine in PDB 7c6v: Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Laminaritriose (Form II)

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Laminaritriose (Form II), PDB code: 7c6v 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)	80.28 / 2.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.410, 185.410, 74.180, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 23.6

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 Laminaritriose (Form II) (pdb code 7c6v). 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 Laminaritriose (Form II), PDB code: 7c6v:
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 Laminaritriose (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 Laminaritriose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:57.7 occ:1.00 CG A:PRO176 3.3 70.4 1.0 CB A:PRO176 3.8 69.2 1.0 NE1 A:TRP386 3.9 38.5 1.0 CB A:ASN181 3.9 39.1 1.0 CE2 A:PHE217 4.0 39.6 1.0 CB A:ALA182 4.0 36.0 1.0 CD2 A:LEU382 4.2 43.1 1.0 N A:ALA182 4.2 35.0 1.0 CZ2 A:TRP386 4.4 34.4 1.0 CE2 A:TRP386 4.5 36.4 1.0 CZ A:PHE217 4.6 38.5 1.0 CD A:PRO176 4.6 73.9 1.0 C A:ASN181 4.6 36.5 1.0 CA A:ALA182 4.6 34.8 1.0 CA A:ASN181 4.8 36.8 1.0 O A:PRO172 4.8 60.6 1.0 ND2 A:ASN181 4.9 45.6 1.0 O A:THR178 4.9 43.4 1.0 CG A:ASN181 4.9 41.5 1.0 O A:HOH610 4.9 35.6 1.0 CD1 A:TRP386 5.0 38.0 1.0 CD2 A:PHE217 5.0 36.8 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 Laminaritriose (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 Laminaritriose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:57.4 occ:1.00 N B:ILE193 3.2 41.7 1.0 NE1 B:TRP187 3.3 35.4 1.0 CB B:ILE193 3.7 39.7 1.0 CB B:GLU192 3.9 52.0 1.0 CG1 B:ILE193 3.9 40.6 1.0 N B:VAL194 3.9 44.2 1.0 CA B:ILE193 4.0 41.6 1.0 CE2 B:TRP187 4.0 34.3 1.0 CZ2 B:TRP187 4.1 33.6 1.0 CA B:GLU192 4.1 47.2 1.0 CD1 B:ILE193 4.1 39.9 1.0 C B:GLU192 4.1 43.7 1.0 O B:VAL194 4.2 47.8 1.0 CD1 B:TRP187 4.4 36.4 1.0 C B:ILE193 4.5 42.6 1.0 CG2 B:VAL194 4.7 45.1 1.0 NH2 B:ARG363 4.8 55.7 1.0 CD B:PRO366 4.8 49.4 1.0 O B:THR364 4.9 46.4 1.0 CD1 B:TYR365 4.9 41.6 1.0 NE B:ARG363 5.0 56.6 1.0 CA B:VAL194 5.0 47.1 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 Laminaritriose (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 Laminaritriose (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:61.8 occ:1.00 NE2 C:HIS381 3.6 39.5 1.0 CB C:LYS405 4.1 56.1 1.0 CE1 C:HIS381 4.3 38.8 1.0 CG C:LYS405 4.4 60.0 1.0 CD2 C:HIS381 4.6 39.8 1.0 O C:LYS405 4.8 53.5 1.0 CD C:LYS405 4.9 62.2 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