Magnesium in PDB 7f6n: Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex

The structure of Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex, PDB code: 7f6n 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)	71.56 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.51, 142.92, 79.27, 90, 100.51, 90
R / Rfree (%)	19.5 / 24.2

The binding sites of Magnesium atom in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex (pdb code 7f6n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex, PDB code: 7f6n:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex


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 Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:21.2 occ:1.00 O A:ALA26 2.2 16.2 1.0 O1 A:CIT402 2.2 24.5 1.0 OD1 A:ASP28 2.3 21.7 1.0 O7 A:CIT402 2.4 17.7 1.0 O A:HOH509 2.7 14.6 1.0 O6 A:CIT402 2.9 17.7 1.0 C1 A:CIT402 3.2 21.3 1.0 C3 A:CIT402 3.3 18.5 1.0 C A:ALA26 3.4 16.1 1.0 C6 A:CIT402 3.4 17.8 1.0 CG A:ASP28 3.4 21.4 1.0 N A:ASP28 3.7 17.3 1.0 OH A:TYR221 3.7 17.6 1.0 C2 A:CIT402 3.8 19.0 1.0 CA A:ALA26 4.1 16.1 1.0 CA A:ASP28 4.1 18.5 1.0 O2 A:CIT402 4.1 24.6 1.0 OD1 A:ASP52 4.1 20.1 1.0 CB A:ASP28 4.3 20.0 1.0 C A:THR27 4.3 17.1 1.0 OD2 A:ASP28 4.3 24.5 1.0 N A:THR27 4.4 16.2 1.0 CB A:ALA26 4.4 16.1 1.0 O5 A:CIT402 4.4 17.0 1.0 CE2 A:TYR221 4.5 17.7 1.0 O A:HOH531 4.5 16.1 1.0 CZ A:TYR221 4.5 17.7 1.0 CA A:THR27 4.6 16.9 1.0 O A:LEU53 4.6 16.4 1.0 C4 A:CIT402 4.7 18.1 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex


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 Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:23.0 occ:1.00 O B:HOH529 2.1 23.1 1.0 OD1 B:ASP28 2.1 20.6 1.0 O B:ALA26 2.2 15.6 1.0 O7 B:CIT402 2.6 17.1 1.0 O2 B:CIT402 2.6 20.1 1.0 O6 B:CIT402 3.0 24.1 1.0 CG B:ASP28 3.3 21.5 1.0 C1 B:CIT402 3.4 21.3 1.0 C B:ALA26 3.4 15.4 1.0 C6 B:CIT402 3.4 20.5 1.0 C3 B:CIT402 3.4 19.9 1.0 N B:ASP28 3.6 17.9 1.0 O B:HOH541 3.7 20.8 1.0 OH B:TYR221 3.7 14.8 1.0 C2 B:CIT402 3.9 20.1 1.0 OD1 B:ASP52 4.0 19.5 1.0 CA B:ASP28 4.0 19.5 1.0 O B:HOH511 4.0 18.1 1.0 CA B:ALA26 4.2 15.0 1.0 CB B:ASP28 4.2 20.5 1.0 O1 B:CIT402 4.2 22.1 1.0 C B:THR27 4.2 17.3 1.0 OD2 B:ASP28 4.2 24.4 1.0 O5 B:CIT402 4.3 18.9 1.0 N B:THR27 4.4 15.2 1.0 CZ B:TYR221 4.5 15.2 1.0 CA B:THR27 4.5 16.2 1.0 CE2 B:TYR221 4.6 15.3 1.0 CB B:ALA26 4.6 15.1 1.0 O B:LEU53 4.7 20.2 1.0 C4 B:CIT402 4.8 20.6 1.0 O B:THR27 5.0 17.2 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Metal-Citrate-Binding Mutant (S26A) Protein (Mcta) of Abc Transporter Endogenously Bound to MG2+-Citrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:42.5 occ:1.00 OD1 C:ASP28 2.2 24.6 1.0 O1 C:CIT402 2.2 28.0 1.0 O C:ALA26 2.3 30.8 1.0 O7 C:CIT402 2.7 30.8 1.0 O5 C:CIT402 2.7 35.2 1.0 C6 C:CIT402 3.2 31.0 1.0 C1 C:CIT402 3.2 29.2 1.0 CG C:ASP28 3.4 24.1 1.0 C3 C:CIT402 3.4 28.6 1.0 C C:ALA26 3.5 33.0 1.0 O C:HOH506 3.6 23.2 1.0 OH C:TYR221 3.7 21.2 1.0 N C:ASP28 3.8 27.0 1.0 C2 C:CIT402 3.8 28.4 1.0 OD1 C:ASP52 4.1 37.6 1.0 O6 C:CIT402 4.1 26.9 1.0 OD2 C:ASP28 4.1 22.4 1.0 CA C:ASP28 4.2 26.2 1.0 O2 C:CIT402 4.2 27.0 1.0 CA C:ALA26 4.3 35.6 1.0 CB C:ASP28 4.3 25.2 1.0 C C:THR27 4.4 28.3 1.0 CZ C:TYR221 4.5 21.5 1.0 CE2 C:TYR221 4.5 21.9 1.0 N C:THR27 4.5 31.7 1.0 CB C:ALA26 4.6 36.9 1.0 CA C:THR27 4.7 29.1 1.0 C4 C:CIT402 4.8 27.4 1.0 O C:LEU53 4.8 34.1 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