Arsenic 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:

Sodium

(Na)

2 atoms

The binding sites of Arsenic 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 Arsenic atom.
In total only one binding site of Arsenic was determined in the Crystal Structure of Metal-Citrate-Binding Mutant (Y221A) Protein (Mcta) of Abc Transporter in Apo State, PDB code: 7f6u:

Arsenic binding site 1 out of 1 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 Arsenic with other atoms in the As 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:As412 b:86.2 occ:1.00 AS A:CAC412 0.0 86.2 1.0 O1 A:CAC412 1.7 82.2 1.0 O2 A:CAC412 1.7 89.0 1.0 C1 A:CAC412 2.0 84.6 1.0 C2 A:CAC412 2.0 85.8 1.0 NA A:NA402 3.5 36.2 1.0 OG1 A:THR199 3.7 20.6 1.0 N A:THR199 3.9 22.8 1.0 O A:HOH663 4.0 50.2 1.0 CB A:THR199 4.2 20.9 1.0 O2 A:PEG409 4.3 54.4 1.0 O A:HOH544 4.4 32.2 1.0 C3 A:PEG409 4.4 50.5 1.0 CA A:SER198 4.5 25.8 1.0 CH2 A:TRP159 4.6 18.8 1.0 CA A:THR199 4.7 21.7 1.0 C A:SER198 4.7 24.2 1.0 O A:HOH686 4.7 45.7 1.0 CB A:SER198 4.8 27.4 1.0 C4 A:PEG409 4.8 47.9 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