Chlorine in PDB 7c68: Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose

The structure of Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose, PDB code: 7c68 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)	54.93 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.630, 109.740, 111.570, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.4

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose (pdb code 7c68). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose, PDB code: 7c68:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose


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 of Abc Transporter in A Closed State Bound to Cellotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:18.9 occ:1.00 O A:HOH755 3.0 34.8 1.0 O A:HOH662 3.1 16.6 1.0 N A:ILE194 3.3 17.4 1.0 NE1 A:TRP188 3.3 14.4 1.0 CG1 A:ILE194 3.7 17.0 1.0 CB A:ILE194 3.7 17.2 1.0 CB A:GLU193 3.9 22.4 1.0 CA A:ILE194 4.0 17.6 1.0 N A:VAL195 4.0 18.8 1.0 CE2 A:TRP188 4.1 14.0 1.0 CZ2 A:TRP188 4.1 14.2 1.0 CA A:GLU193 4.2 20.5 1.0 C A:GLU193 4.2 18.3 1.0 CD1 A:TYR366 4.3 17.6 1.0 CD A:PRO367 4.4 18.7 1.0 O A:VAL195 4.4 18.8 1.0 CD1 A:TRP188 4.5 15.2 1.0 CG2 A:VAL195 4.5 18.5 1.0 NH2 A:ARG364 4.6 17.3 1.0 C A:ILE194 4.6 17.7 1.0 CA A:TYR366 4.7 18.3 1.0 NE A:ARG364 4.8 17.3 1.0 O A:THR365 4.9 19.1 1.0 CD1 A:ILE194 4.9 17.3 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose


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 of Abc Transporter in A Closed State Bound to Cellotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:44.5 occ:1.00 NE2 A:HIS382 3.4 23.4 1.0 O A:HOH802 3.5 40.5 1.0 O A:HOH794 3.5 31.3 1.0 O A:HOH714 3.6 24.7 1.0 CE1 A:HIS382 4.1 22.1 1.0 CD A:LYS406 4.2 29.3 1.0 CB A:LYS406 4.4 24.0 1.0 CD2 A:HIS382 4.5 22.9 1.0 O A:HOH845 4.6 37.2 1.0 CG A:LYS406 4.8 26.5 1.0 O A:LYS406 4.9 21.2 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose


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 of Abc Transporter in A Closed State Bound to Cellotetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:21.1 occ:1.00 O B:HOH706 3.1 26.7 1.0 N B:ILE194 3.2 22.9 1.0 NE1 B:TRP188 3.4 19.2 1.0 CB B:ILE194 3.7 21.5 1.0 CG1 B:ILE194 3.7 20.5 1.0 N B:VAL195 3.8 23.8 1.0 CB B:GLU193 3.9 29.4 1.0 CA B:ILE194 3.9 22.6 1.0 CE2 B:TRP188 4.1 18.3 1.0 O B:VAL195 4.1 25.4 1.0 C B:GLU193 4.2 25.1 1.0 CZ2 B:TRP188 4.2 18.1 1.0 CA B:GLU193 4.2 26.8 1.0 CD B:PRO367 4.2 25.4 1.0 CD1 B:TYR366 4.2 18.8 1.0 C B:ILE194 4.4 23.4 1.0 CG2 B:VAL195 4.4 23.3 1.0 CD1 B:TRP188 4.5 19.7 1.0 CA B:TYR366 4.6 21.8 1.0 NH2 B:ARG364 4.8 22.8 1.0 CA B:VAL195 4.9 25.9 1.0 CD1 B:ILE194 4.9 19.9 1.0 CE1 B:TYR366 5.0 17.2 1.0 CB B:TYR366 5.0 20.4 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose


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 of Abc Transporter in A Closed State Bound to Cellotetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:54.7 occ:1.00 NH1 B:ARG416 3.3 52.0 1.0 ND2 B:ASN412 3.6 34.6 1.0 NH1 B:ARG201 3.8 65.2 1.0 NH2 B:ARG201 3.8 64.8 1.0 CB B:ASN412 4.0 34.3 1.0 CG B:ASN412 4.3 34.4 1.0 CZ B:ARG201 4.3 65.8 1.0 CZ B:ARG416 4.6 49.8 1.0 CA B:ALA409 4.7 31.3 1.0 O B:ALA409 5.0 30.9 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:50.5 occ:1.00 O B:HOH770 3.3 45.4 1.0 N B:ARG397 3.6 36.0 1.0 CG B:ARG397 3.7 40.9 1.0 O B:HOH751 3.7 29.9 1.0 O B:HOH715 3.9 37.6 1.0 CA B:THR396 4.0 35.0 1.0 CB B:THR396 4.0 35.2 1.0 OH B:TYR216 4.1 38.2 1.0 CB B:ARG397 4.2 38.9 1.0 C B:THR396 4.3 35.4 1.0 CG2 B:THR396 4.5 34.5 1.0 CA B:ARG397 4.5 36.9 1.0 CZ B:TYR216 4.9 36.1 1.0 CD B:ARG397 5.0 38.8 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