Chlorine in PDB 7f6s: Crystal Structure of Metal-Citrate-Binding Mutant (T199A) Protein (Mcta) of Abc Transporter in Apo State

The structure of Crystal Structure of Metal-Citrate-Binding Mutant (T199A) Protein (Mcta) of Abc Transporter in Apo State, PDB code: 7f6s was solved by S.P.Kanaujia, S.K.Mandal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.80 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	44.29, 108.85, 163.57, 90, 90, 90
R / Rfree (%)	15.1 / 18.2

The structure of Crystal Structure of Metal-Citrate-Binding Mutant (T199A) Protein (Mcta) of Abc Transporter in Apo State also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Metal-Citrate-Binding Mutant (T199A) Protein (Mcta) of Abc Transporter in Apo State (pdb code 7f6s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Metal-Citrate-Binding Mutant (T199A) Protein (Mcta) of Abc Transporter in Apo State, PDB code: 7f6s:

Chlorine binding site 1 out of 1 in the Crystal Structure of Metal-Citrate-Binding Mutant (T199A) Protein (Mcta) of Abc Transporter in Apo State


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 Metal-Citrate-Binding Mutant (T199A) Protein (Mcta) of Abc Transporter in Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:58.5 occ:1.00 NH2 A:ARG40 3.4 54.5 1.0 N A:ILE48 3.4 30.9 1.0 CD A:ARG40 3.5 49.0 1.0 CA A:GLN47 3.7 33.1 1.0 O A:HOH524 3.9 47.1 1.0 NE A:ARG40 4.1 53.5 1.0 CZ A:ARG40 4.1 52.3 1.0 C A:GLN47 4.1 31.5 1.0 O A:ILE48 4.1 32.1 1.0 CB A:GLN47 4.2 34.2 1.0 O A:ILE46 4.3 33.5 1.0 CA A:ILE48 4.4 29.9 1.0 CB A:ILE48 4.6 32.1 1.0 CG A:ARG40 4.6 43.5 1.0 C A:ILE48 4.7 30.5 1.0 CG1 A:ILE48 4.8 32.7 1.0 N A:GLN47 4.8 33.2 1.0 CG A:GLN47 4.9 37.9 1.0

S.K.Mandal, S.P.Kanaujia. Structural and Thermodynamic Insights Into A Novel MG2+-Citrate-Binding Protein From the Abc Transporter Superfamily Acta Crystallogr.,Sect.D V. 77 2021.
ISSN: ESSN 1399-0047
DOI: DOI.ORG/10.1107/S2059798321010457