Magnesium in PDB 7f6f: Crystal Structure of Metal-Citrate-Binding Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (Form II)

The structure of Crystal Structure of Metal-Citrate-Binding Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (Form II), PDB code: 7f6f was solved by S.P.Kanaujia, S.K.Mandal, P.Gogoi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.93 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.65, 100.87, 143.66, 90, 90, 90
R / Rfree (%)	16.5 / 21.6

The binding sites of Magnesium atom in the Crystal Structure of Metal-Citrate-Binding Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (Form II) (pdb code 7f6f). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Metal-Citrate-Binding Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (Form II), PDB code: 7f6f:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Metal-Citrate-Binding Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (Form II)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Metal-Citrate-Binding Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:22.5 occ:1.00 OD1 A:ASP28 2.2 20.2 1.0 O A:SER26 2.3 16.6 1.0 O2 A:CIT402 2.4 17.8 1.0 O7 A:CIT402 2.4 18.2 1.0 O A:HOH518 2.5 23.5 1.0 O6 A:CIT402 3.0 26.0 1.0 C1 A:CIT402 3.1 19.1 1.0 C3 A:CIT402 3.3 19.9 1.0 C6 A:CIT402 3.3 22.4 1.0 CG A:ASP28 3.4 20.5 1.0 C A:SER26 3.5 16.5 1.0 OH A:TYR221 3.5 18.5 1.0 C2 A:CIT402 3.6 19.1 1.0 N A:ASP28 3.7 17.8 1.0 O1 A:CIT402 4.0 17.0 1.0 CA A:ASP28 4.2 18.8 1.0 CA A:SER26 4.2 16.3 1.0 OD2 A:ASP28 4.3 21.3 1.0 O5 A:CIT402 4.3 23.5 1.0 C A:THR27 4.4 16.6 1.0 CB A:ASP28 4.4 19.9 1.0 O A:HOH512 4.4 20.8 1.0 CE2 A:TYR221 4.4 19.8 1.0 CZ A:TYR221 4.4 19.1 1.0 OD1 A:ASP52 4.4 23.0 1.0 CB A:SER26 4.4 16.0 1.0 N A:THR27 4.5 16.6 1.0 CA A:THR27 4.6 16.4 1.0 C4 A:CIT402 4.7 19.0 1.0 O A:LEU53 4.8 20.5 1.0 O4 A:CIT402 4.8 18.2 1.0 O A:HOH521 5.0 33.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Metal-Citrate-Binding Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (Form II)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Metal-Citrate-Binding Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (Form II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:32.7 occ:1.00 O B:SER26 2.3 24.8 1.0 O7 B:CIT402 2.3 23.7 1.0 OD1 B:ASP28 2.4 33.7 1.0 O1 B:CIT402 2.5 23.7 1.0 O B:HOH545 2.6 27.1 1.0 O5 B:CIT402 2.7 28.4 1.0 C3 B:CIT402 3.1 23.7 1.0 C1 B:CIT402 3.1 22.4 1.0 C6 B:CIT402 3.2 27.0 1.0 C B:SER26 3.5 24.3 1.0 C2 B:CIT402 3.6 22.9 1.0 CG B:ASP28 3.6 32.6 1.0 OH B:TYR221 3.7 22.6 1.0 O B:HOH596 3.8 36.6 1.0 N B:ASP28 3.9 27.2 1.0 O2 B:CIT402 4.0 25.6 1.0 CA B:SER26 4.2 25.3 1.0 O6 B:CIT402 4.2 24.4 1.0 O B:HOH529 4.3 24.9 1.0 OD1 B:ASP52 4.3 35.6 1.0 CB B:SER26 4.3 24.0 1.0 CA B:ASP28 4.4 29.8 1.0 OD2 B:ASP28 4.4 34.3 1.0 C B:THR27 4.5 26.0 1.0 CE2 B:TYR221 4.5 23.2 1.0 C4 B:CIT402 4.5 23.1 1.0 N B:THR27 4.5 24.1 1.0 CZ B:TYR221 4.6 23.5 1.0 CB B:ASP28 4.6 30.9 1.0 O B:HOH636 4.6 60.5 1.0 O B:LEU53 4.7 32.7 1.0 O B:HOH547 4.7 43.0 1.0 CA B:THR27 4.8 24.9 1.0 O4 B:CIT402 4.8 23.9 1.0 OG B:SER26 5.0 22.4 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