Magnesium in PDB 1g9x: Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter

The structure of Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter, PDB code: 1g9x was solved by Y.-R.Yuan, J.F.Hunt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.66 / 2.60
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	117.310, 117.310, 42.190, 90.00, 90.00, 120.00
R / Rfree (%)	15.3 / 27.9

The structure of Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter also contains other interesting chemical elements:

Mercury

(Hg)

3 atoms

The binding sites of Magnesium atom in the Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter (pdb code 1g9x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter, PDB code: 1g9x:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:1.1 occ:1.00 OG A:SER47 1.6 5.5 1.0 O1B A:ADP300 1.7 11.3 1.0 O A:HOH3038 2.4 70.3 1.0 CB A:SER47 2.8 4.2 1.0 PB A:ADP300 2.9 15.3 1.0 O2B A:ADP300 3.3 15.3 1.0 N A:SER47 3.4 4.5 1.0 O3A A:ADP300 3.7 18.5 1.0 CA A:SER47 3.7 4.9 1.0 O3B A:ADP300 4.0 12.6 1.0 O2A A:ADP300 4.1 20.3 1.0 OD2 A:ASP178 4.1 8.8 1.0 O1A A:ADP300 4.2 19.8 1.0 OE2 A:GLU179 4.2 3.0 1.0 PA A:ADP300 4.2 20.6 1.0 C A:LYS46 4.4 3.9 1.0 OD1 A:ASP178 4.5 10.3 1.0 CB A:LYS46 4.5 2.4 1.0 CG A:ASP178 4.8 9.4 1.0 CA A:LYS46 4.8 5.1 1.0 O A:HOH3079 4.8 30.5 1.0 NZ A:LYS46 4.9 1.9 1.0 N A:LYS46 4.9 5.3 1.0 C A:SER47 4.9 4.6 1.0 CE A:LYS46 5.0 3.2 1.0

Magnesium binding site 2 out of 3 in the Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1301 b:11.1 occ:1.00 OE2 B:GLU1179 1.8 9.1 1.0 O B:HOH3030 2.1 79.6 1.0 OG B:SER1047 2.4 1.1 1.0 O1B B:ADP1300 2.8 16.6 1.0 CD B:GLU1179 3.0 7.5 1.0 OD1 B:ASP1178 3.6 8.9 1.0 OE1 B:GLU1179 3.7 6.7 1.0 CB B:SER1047 3.8 1.1 1.0 PB B:ADP1300 4.1 15.6 1.0 CG B:GLU1179 4.1 7.4 1.0 N B:SER1047 4.3 4.8 1.0 CA B:SER1047 4.4 2.9 1.0 NZ B:LYS1046 4.5 1.7 1.0 O2B B:ADP1300 4.5 18.4 1.0 CG B:ASP1178 4.6 6.6 1.0 CE B:LYS1046 4.6 1.1 1.0 OD2 B:ASP1178 4.8 6.6 1.0 CG2 B:ILE1209 4.8 8.3 1.0 CB B:LYS1046 4.9 3.1 1.0 O3B B:ADP1300 5.0 17.5 1.0

Magnesium binding site 3 out of 3 in the Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg2301 b:11.2 occ:1.00 OG C:SER2047 2.3 5.2 1.0 O1B C:ADP2300 2.8 17.6 1.0 CB C:SER2047 3.7 5.2 1.0 OD1 C:ASP2178 4.1 7.5 1.0 OE2 C:GLU2179 4.2 13.0 1.0 PB C:ADP2300 4.2 17.6 1.0 N C:SER2047 4.3 5.8 1.0 CA C:SER2047 4.3 6.1 1.0 CG C:GLU2179 4.5 12.7 1.0 CG C:ASP2178 4.6 8.3 1.0 CB C:ASP2178 4.7 8.5 1.0 O2B C:ADP2300 4.8 17.9 1.0 CD C:GLU2179 4.8 13.7 1.0 CE C:LYS2046 4.9 1.5 1.0 O3B C:ADP2300 4.9 15.0 1.0

Y.R.Yuan, O.Martsinkevich, J.F.Hunt. Structural Characterization of An MJ1267 Atp-Binding Cassette Crystal with A Complex Pattern of Twinning Caused By Promiscuous Fiber Packing. Acta Crystallogr.,Sect.D V. 59 225 2003.
ISSN: ISSN 0907-4449
PubMed: 12554933
DOI: 10.1107/S0907444902018954