Sodium in PDB 7f6u: Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State

The structure of Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State, PDB code: 7f6u 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)	48.68 / 1.75
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	44.42, 108.61, 163.17, 90, 90, 90
R / Rfree (%)	20.4 / 23.6

The structure of Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Sodium atom in the Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State (pdb code 7f6u). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State, PDB code: 7f6u:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:23.3 occ:1.00 O A:HOH738 2.7 23.7 1.0 O A:ARG109 2.9 14.6 1.0 O A:ALA106 3.0 18.4 1.0 N A:GLY111 3.4 14.2 1.0 CG A:ARG109 3.6 14.9 1.0 CA A:ALA106 3.7 18.3 1.0 C A:ALA106 3.7 18.4 1.0 CB A:ALA106 3.8 18.5 1.0 CA A:GLY111 3.9 14.6 1.0 C A:ARG109 3.9 13.8 1.0 CD A:ARG109 4.5 15.9 1.0 C A:LEU110 4.5 14.3 1.0 CB A:ARG109 4.7 14.4 1.0 CA A:ARG109 4.7 14.2 1.0 N A:LEU110 4.7 14.0 1.0 O A:HOH689 4.8 43.9 1.0 CA A:LEU110 4.8 14.1 1.0 N A:ARG109 4.9 14.1 1.0 O A:GLY111 4.9 15.0 1.0 NE A:ARG109 4.9 16.7 1.0 C A:GLY111 5.0 14.9 1.0 N A:ASN107 5.0 19.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:36.2 occ:1.00 O2 A:CAC412 2.3 89.0 1.0 O A:HOH744 2.5 38.3 1.0 O A:HOH686 2.7 45.7 1.0 N A:GLY200 3.0 22.5 1.0 AS A:CAC412 3.5 86.2 1.0 CA A:GLY200 3.7 25.0 1.0 N A:THR199 3.7 22.8 1.0 C1 A:CAC412 3.8 84.6 1.0 CB A:SER198 3.8 27.4 1.0 C A:THR199 4.0 22.7 1.0 O1 A:CAC412 4.0 82.2 1.0 OG A:SER198 4.0 27.5 1.0 CB A:THR199 4.0 20.9 1.0 CA A:THR199 4.1 21.7 1.0 C A:SER198 4.3 24.2 1.0 CA A:SER198 4.5 25.8 1.0 O A:HOH663 4.5 50.2 1.0 OG1 A:THR199 4.7 20.6 1.0 O A:HOH732 4.9 42.6 1.0 C A:GLY200 4.9 26.3 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