Chlorine in PDB 7c0u: Crystal Structure of A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine

The structure of Crystal Structure of A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine, PDB code: 7c0u 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)	46.95 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.99, 57.28, 121.599, 90, 94.93, 90
R / Rfree (%)	22.6 / 27.4

The binding sites of Chlorine atom in the Crystal Structure of A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine (pdb code 7c0u). 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 A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine, PDB code: 7c0u:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine


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 A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:30.9 occ:1.00 O A:HOH816 2.6 24.4 1.0 O2 A:GOL506 2.9 32.0 1.0 N A:LYS252 3.0 16.1 1.0 CE2 A:PHE253 3.5 13.7 1.0 CD2 A:PHE253 3.5 14.3 1.0 CB A:LEU229 3.6 15.9 1.0 CB A:LYS252 3.7 19.7 1.0 N A:GLY230 3.8 19.9 1.0 CA A:ALA251 3.8 14.7 1.0 C A:ALA251 3.8 15.3 1.0 O A:ALA250 3.9 15.3 1.0 O3 A:GOL506 3.9 24.3 1.0 CA A:LYS252 3.9 17.6 1.0 CA A:GLY230 4.0 21.0 1.0 C A:LEU229 4.0 18.1 1.0 C2 A:GOL506 4.1 27.2 1.0 CD A:LYS252 4.1 22.2 1.0 CG A:LYS252 4.1 20.3 1.0 C3 A:GOL506 4.2 26.1 1.0 CA A:LEU229 4.4 16.1 1.0 O A:HOH758 4.5 21.5 1.0 O A:LEU229 4.5 18.7 1.0 C A:ALA250 4.6 14.8 1.0 N A:PHE253 4.7 16.5 1.0 N A:ALA251 4.7 14.3 1.0 O A:HOH670 4.7 32.0 1.0 CG A:LEU229 4.7 15.2 1.0 C A:LYS252 4.7 18.1 1.0 CZ A:PHE253 4.8 13.6 1.0 CD1 A:LEU229 4.8 16.0 1.0 CG A:PHE253 4.8 14.6 1.0 CB A:ALA251 4.8 14.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine


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 A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:39.7 occ:1.00 N A:GLY26 2.9 15.8 1.0 CA A:GLY25 3.8 15.9 1.0 CA A:GLY26 3.8 15.3 1.0 C A:GLY25 3.8 16.6 1.0 O A:HOH692 4.1 15.3 1.0 O A:HOH737 4.8 13.1 1.0 O A:HOH920 4.8 30.7 1.0 N A:GLY25 4.9 15.7 1.0 C A:GLY26 5.0 14.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine


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 A Dinucleotide-Binding Protein (S127A) of Abc Transporter Endogenously Bound to Uridylyl-3'-5'-Phospho-Guanosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:30.6 occ:1.00 O B:HOH766 2.7 13.2 1.0 O2 B:GOL503 2.9 25.5 1.0 N B:LYS252 3.0 14.9 1.0 CE2 B:PHE253 3.5 11.8 1.0 CD2 B:PHE253 3.6 12.6 1.0 CB B:LEU229 3.7 13.2 1.0 CB B:LYS252 3.7 18.2 1.0 CA B:ALA251 3.8 13.3 1.0 N B:GLY230 3.8 16.9 1.0 C B:ALA251 3.8 14.1 1.0 O B:ALA250 3.9 16.1 1.0 CD B:LYS252 3.9 20.2 1.0 CG B:LYS252 4.0 18.8 1.0 CA B:LYS252 4.0 16.7 1.0 CA B:GLY230 4.0 18.9 1.0 C B:LEU229 4.0 15.6 1.0 C2 B:GOL503 4.1 23.8 1.0 C3 B:GOL503 4.1 22.7 1.0 O3 B:GOL503 4.2 21.8 1.0 CA B:LEU229 4.4 13.7 1.0 O B:LEU229 4.5 16.0 1.0 C B:ALA250 4.6 14.0 1.0 O B:HOH760 4.6 23.0 1.0 N B:ALA251 4.6 13.3 1.0 CG B:LEU229 4.8 12.7 1.0 N B:PHE253 4.8 16.1 1.0 CZ B:PHE253 4.8 11.4 1.0 CB B:ALA251 4.8 13.0 1.0 C1 B:GOL503 4.8 22.4 1.0 CD1 B:LEU229 4.9 13.1 1.0 CG B:PHE253 4.9 12.9 1.0 C B:LYS252 4.9 17.9 1.0

M.Chandravanshi, R.Samanta, S.P.Kanaujia. Structural and Thermodynamic Insights Into the Novel Dinucleotide-Binding Protein of Abc Transporter Unveils Its Moonlighting Function. Febs J. 2021.
ISSN: ISSN 1742-464X
PubMed: 33599038
DOI: 10.1111/FEBS.15774