Manganese in PDB 7f6o: Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MN2+-Citrate Complex

The structure of Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MN2+-Citrate Complex, PDB code: 7f6o 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)	58.28 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.73, 100.13, 143.34, 90, 90, 90
R / Rfree (%)	19.4 / 26.5

The binding sites of Manganese atom in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MN2+-Citrate Complex (pdb code 7f6o). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MN2+-Citrate Complex, PDB code: 7f6o:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MN2+-Citrate Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MN2+-Citrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:57.8 occ:1.00 OD1 A:ASP28 2.2 22.8 1.0 O7 A:CIT402 2.5 31.9 1.0 O5 A:CIT402 2.6 40.7 1.0 O1 A:CIT402 2.6 30.5 1.0 O A:ALA26 2.7 14.4 1.0 C6 A:CIT402 3.3 32.4 1.0 C3 A:CIT402 3.4 31.7 1.0 CG A:ASP28 3.4 22.9 1.0 C1 A:CIT402 3.6 28.7 1.0 N A:ASP28 3.8 18.8 1.0 C A:ALA26 3.8 13.6 1.0 O A:HOH509 4.0 10.2 1.0 C2 A:CIT402 4.0 29.3 1.0 OH A:TYR221 4.1 15.1 1.0 OD1 A:ASP52 4.1 10.9 1.0 CA A:ASP28 4.1 20.4 1.0 O A:HOH523 4.1 16.2 1.0 CB A:ASP28 4.3 22.2 1.0 OD2 A:ASP28 4.3 24.1 1.0 O6 A:CIT402 4.3 31.4 1.0 C A:THR27 4.5 17.0 1.0 O2 A:CIT402 4.6 24.8 1.0 CA A:ALA26 4.7 12.9 1.0 C4 A:CIT402 4.7 30.9 1.0 CZ A:TYR221 4.7 15.3 1.0 N A:THR27 4.8 14.6 1.0 CE2 A:TYR221 4.8 15.6 1.0 CA A:THR27 4.8 15.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MN2+-Citrate Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MN2+-Citrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:57.0 occ:1.00 O7 B:CIT402 2.3 24.0 1.0 O5 B:CIT402 2.5 26.1 1.0 O B:ALA26 2.8 17.1 1.0 OD1 B:ASP28 2.9 24.0 1.0 O1 B:CIT402 3.0 25.4 1.0 C6 B:CIT402 3.2 25.9 1.0 C3 B:CIT402 3.3 24.9 1.0 C1 B:CIT402 3.8 25.3 1.0 C B:ALA26 4.0 15.8 1.0 C2 B:CIT402 4.0 25.4 1.0 O B:HOH524 4.0 10.2 1.0 OD1 B:ASP52 4.0 17.8 1.0 CG B:ASP28 4.1 23.4 1.0 N B:ASP28 4.3 18.8 1.0 O6 B:CIT402 4.4 24.1 1.0 C4 B:CIT402 4.5 25.8 1.0 CA B:ALA26 4.6 15.0 1.0 O4 B:CIT402 4.6 26.3 1.0 CA B:ASP28 4.6 20.5 1.0 OH B:TYR221 4.7 13.5 1.0 O B:LEU53 4.7 15.9 1.0 O2 B:CIT402 4.8 21.2 1.0 C B:THR27 4.9 18.0 1.0 CB B:ASP28 4.9 22.1 1.0 OD2 B:ASP28 4.9 26.2 1.0 CB B:ALA26 5.0 14.5 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