Mercury 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:

Magnesium

(Mg)

3 atoms

The binding sites of Mercury 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 Mercury atom.
In total 3 binding sites of Mercury where determined in the Characterization of the Twinning Structure of MJ1267, An Atp-Binding Cassette of An Abc Transporter, PDB code: 1g9x:
Jump to Mercury binding site number: 1; 2; 3;

Mercury 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 Mercury with other atoms in the Hg 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:Hg302 b:34.4 occ:1.00 HG A:MMC302 0.0 34.4 1.0 SG A:CYS31 2.7 24.5 1.0 C A:MMC302 2.7 27.8 1.0 CB A:CYS31 2.8 24.6 1.0 O A:THR4 3.5 43.4 1.0 NH2 A:ARG236 3.9 23.2 1.0 O A:MET5 4.2 35.5 1.0 CA A:CYS31 4.2 22.4 1.0 CG2 A:THR4 4.4 46.9 1.0 OG A:SER29 4.6 15.3 1.0 C A:MET5 4.6 37.3 1.0 C A:THR4 4.6 44.1 1.0 OD2 A:ASP34 4.6 18.9 1.0 CA A:GLU6 4.7 30.9 1.0 N A:CYS31 4.7 20.8 1.0 O A:SER29 4.7 19.4 1.0 C A:CYS31 4.8 23.4 1.0 N A:GLU6 4.9 34.1 1.0 CG A:ASP34 4.9 20.2 1.0 OD1 A:ASP34 5.0 21.3 1.0 CZ A:ARG236 5.0 22.6 1.0

Mercury 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 Mercury with other atoms in the Hg 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:Hg1302 b:36.9 occ:1.00 HG B:MMC1302 0.0 36.9 1.0 C B:MMC1302 2.7 33.8 1.0 SG B:CYS1031 2.8 30.1 1.0 CB B:CYS1031 3.2 25.2 1.0 NH2 B:ARG1236 3.2 35.0 1.0 OD2 B:ASP1034 4.0 17.8 1.0 O B:HOH3092 4.1 21.0 1.0 CG B:ASP1034 4.1 18.5 1.0 CZ B:ARG1236 4.2 32.9 1.0 CB B:ASP1034 4.4 17.7 1.0 O B:LYS1032 4.4 27.6 1.0 OD1 B:ASP1034 4.5 19.1 1.0 CB B:THR1004 4.6 52.5 1.0 CA B:CYS1031 4.7 23.8 1.0 NE B:ARG1236 4.8 32.4 1.0 N B:LYS1032 4.8 25.7 1.0 O B:THR1004 4.9 51.5 1.0 NH1 B:ARG1236 5.0 33.4 1.0

Mercury 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 Mercury with other atoms in the Hg 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:Hg2302 b:36.0 occ:1.00 HG C:MMC2302 0.0 36.0 1.0 CB C:CYS2031 2.7 19.1 1.0 C C:MMC2302 2.7 32.2 1.0 SG C:CYS2031 2.8 26.2 1.0 CA C:CYS2031 3.2 15.2 1.0 O C:MET2005 3.7 35.2 1.0 CA C:GLU2006 3.8 31.8 1.0 C C:MET2005 3.8 36.0 1.0 N C:GLU2006 3.8 33.7 1.0 C C:CYS2031 3.9 13.8 1.0 N C:LYS2032 4.0 19.1 1.0 CG2 C:THR2004 4.0 43.3 1.0 CB C:THR2004 4.3 41.7 1.0 CB C:GLU2006 4.4 32.3 1.0 N C:CYS2031 4.4 13.1 1.0 N C:MET2005 4.5 39.9 1.0 OE1 C:GLU2006 4.5 33.2 1.0 O C:CYS2031 4.6 13.7 1.0 CA C:MET2005 4.7 38.1 1.0 O C:VAL2030 4.8 12.0 1.0 C C:THR2004 4.9 41.0 1.0 OD1 C:ASP2034 5.0 16.7 1.0 C C:GLU2006 5.0 30.1 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