Chlorine in PDB 7f6q: Crystal Structure of Metal-Citrate-Binding Mutant (S79A) Protein (Mcta) of Abc Transporter in Apo State

The structure of Crystal Structure of Metal-Citrate-Binding Mutant (S79A) Protein (Mcta) of Abc Transporter in Apo State, PDB code: 7f6q 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)	42.21 / 1.63
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.17, 72.17, 114.3, 90, 90, 120
R / Rfree (%)	17.6 / 21.3

The binding sites of Chlorine atom in the Crystal Structure of Metal-Citrate-Binding Mutant (S79A) Protein (Mcta) of Abc Transporter in Apo State (pdb code 7f6q). 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 Metal-Citrate-Binding Mutant (S79A) Protein (Mcta) of Abc Transporter in Apo State, PDB code: 7f6q:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Metal-Citrate-Binding Mutant (S79A) 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 (S79A) Protein (Mcta) of Abc Transporter in Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:48.5 occ:1.00 NE2 A:GLN226 3.3 19.2 1.0 O A:HOH703 3.5 41.0 1.0 N A:ILE234 3.6 17.3 1.0 O A:HOH616 3.8 32.8 1.0 CA A:GLY233 4.0 18.0 1.0 O A:ILE234 4.1 20.0 1.0 CE A:LYS128 4.2 37.6 1.0 NZ A:LYS128 4.3 42.6 1.0 C A:GLY233 4.3 17.8 1.0 CD A:GLN226 4.5 20.2 1.0 CA A:ILE234 4.5 17.9 1.0 CB A:ILE234 4.6 17.6 1.0 O A:HOH577 4.6 29.3 1.0 OE1 A:GLN226 4.7 23.3 1.0 O A:LEU232 4.7 18.2 1.0 C A:ILE234 4.8 17.7 1.0 OH A:TYR126 5.0 26.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Metal-Citrate-Binding Mutant (S79A) 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 2 of Crystal Structure of Metal-Citrate-Binding Mutant (S79A) Protein (Mcta) of Abc Transporter in Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:51.6 occ:1.00 N A:GLY200 3.2 17.9 1.0 OG A:SER198 3.5 30.9 1.0 O A:HOH679 3.6 41.3 1.0 O A:HOH722 3.7 32.0 1.0 CA A:GLY200 3.9 18.1 1.0 N A:THR199 3.9 21.3 1.0 O A:HOH697 4.0 43.7 1.0 C A:THR199 4.3 18.8 1.0 CB A:SER198 4.4 26.3 1.0 CA A:SER198 4.4 25.9 1.0 CA A:THR199 4.4 20.3 1.0 C A:SER198 4.4 21.0 1.0 CB A:THR199 4.5 20.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Metal-Citrate-Binding Mutant (S79A) 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 3 of Crystal Structure of Metal-Citrate-Binding Mutant (S79A) Protein (Mcta) of Abc Transporter in Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:47.1 occ:1.00 O A:HOH670 2.4 39.2 1.0 O A:HOH529 3.1 28.6 1.0 N A:GLU287 3.1 19.9 1.0 O A:HOH519 3.2 40.1 1.0 O A:HOH800 3.3 43.0 1.0 CA A:ARG286 3.7 16.8 1.0 CB A:GLU287 3.7 27.9 1.0 O A:ASN103 3.9 28.5 1.0 C A:ARG286 3.9 17.7 1.0 O A:HOH509 3.9 26.9 1.0 CA A:GLU287 4.1 20.1 1.0 O1 A:EDO411 4.1 35.5 1.0 CG A:ARG286 4.1 19.1 1.0 C1 A:EDO411 4.2 34.1 1.0 CD A:PRO105 4.2 26.0 1.0 O A:ARG285 4.2 14.2 1.0 CE3 A:TRP104 4.3 19.2 1.0 CZ3 A:TRP104 4.3 19.2 1.0 CB A:ARG286 4.4 16.8 1.0 CG A:PRO105 4.6 27.9 1.0 C A:ASN103 4.7 26.8 1.0 N A:ARG286 4.7 15.4 1.0 C A:ARG285 4.9 14.6 1.0 CA A:TRP104 5.0 23.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Metal-Citrate-Binding Mutant (S79A) 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 4 of Crystal Structure of Metal-Citrate-Binding Mutant (S79A) Protein (Mcta) of Abc Transporter in Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:49.2 occ:1.00 O A:HOH825 2.7 37.0 1.0 N A:ASP97 2.9 17.8 1.0 O A:HOH714 3.3 31.9 1.0 CA A:TYR96 3.6 16.1 1.0 C A:TYR96 3.7 16.7 1.0 CB A:ASP97 3.8 21.7 1.0 CA A:ASP97 3.8 20.0 1.0 CD1 A:TYR96 3.9 18.7 1.0 O A:HOH643 4.0 26.0 1.0 O A:ASP97 4.2 21.4 1.0 C A:ASP97 4.4 20.1 1.0 N A:TYR96 4.5 15.0 1.0 CG A:TYR96 4.5 17.1 1.0 CB A:TYR96 4.6 16.2 1.0 O A:PRO95 4.6 17.3 1.0 CE1 A:TYR96 4.6 19.2 1.0 O A:HOH619 4.8 25.7 1.0 C A:PRO95 4.8 15.1 1.0 O A:TYR96 4.9 16.0 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