Mercury in PDB 4m1m: Corrected Structure of Mouse P-Glycoprotein

All present enzymatic activity of Corrected Structure of Mouse P-Glycoprotein:
3.6.3.44;

The structure of Corrected Structure of Mouse P-Glycoprotein, PDB code: 4m1m was solved by J.Li, K.F.Jaimes, S.G.Aller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.89 / 3.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.544, 115.426, 378.858, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Mercury atom in the Corrected Structure of Mouse P-Glycoprotein (pdb code 4m1m). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 13 binding sites of Mercury where determined in the Corrected Structure of Mouse P-Glycoprotein, PDB code: 4m1m:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1301 b:0.9 occ:0.89 SG A:CYS713 2.5 93.5 1.0 OE1 A:GLN769 2.7 0.8 1.0 CB A:GLN769 3.5 0.1 1.0 CD A:GLN769 3.5 0.1 1.0 C A:CYS713 3.6 1.0 1.0 N A:ALA714 3.7 0.2 1.0 O A:CYS713 3.7 0.5 1.0 O A:THR765 3.7 0.1 1.0 CA A:ALA714 3.7 0.1 1.0 CB A:CYS713 3.8 0.5 1.0 NE2 A:GLN834 3.9 89.4 1.0 CB A:THR765 3.9 0.3 1.0 CG A:GLN769 4.0 0.6 1.0 C A:THR765 4.1 0.1 1.0 CB A:ASN717 4.1 0.7 1.0 CA A:CYS713 4.4 0.1 1.0 CA A:THR765 4.4 0.9 1.0 CB A:ALA714 4.4 0.4 1.0 CD1 A:PHE766 4.5 0.7 1.0 CA A:GLN769 4.5 0.1 1.0 NE2 A:GLN769 4.6 0.3 1.0 CE1 A:PHE766 4.7 0.9 1.0 CG2 A:THR765 4.7 0.9 1.0 OG1 A:THR765 4.7 0.5 1.0 N A:GLN769 4.8 0.9 1.0 N A:PHE766 4.8 0.3 1.0 CG A:ASN717 4.8 0.2 1.0 OD1 A:ASN717 4.9 0.1 1.0 C A:ALA714 4.9 0.8 1.0

Mercury binding site 2 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1302 b:71.9 occ:0.16 SG A:CYS1070 2.5 0.6 1.0 CE2 A:TYR1040 3.1 0.7 1.0 CZ A:TYR1040 3.7 0.8 1.0 OH A:TYR1040 3.7 0.7 1.0 CD2 A:TYR1040 3.9 0.5 1.0 CB A:CYS1070 4.3 0.6 1.0 CE1 A:TYR1040 4.8 0.6 1.0 CG A:TYR1040 5.0 0.6 1.0

Mercury binding site 3 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1303 b:0.0 occ:0.26 SG A:CYS1121 2.4 0.1 1.0 NH1 A:ARG272 2.4 0.6 1.0 CB A:CYS1121 2.6 0.1 1.0 CZ A:ARG272 2.9 0.1 1.0 NH2 A:ARG272 3.0 0.9 1.0 OE1 A:GLU1125 3.2 0.7 1.0 CB A:PHE1119 3.2 0.3 1.0 N A:CYS1121 3.4 0.7 1.0 CA A:CYS1121 3.6 0.6 1.0 NE A:ARG272 3.9 0.1 1.0 CD A:GLU1125 3.9 0.7 1.0 CG A:PHE1119 4.1 0.8 1.0 C A:PHE1119 4.1 0.5 1.0 OE2 A:GLU252 4.2 0.1 1.0 CA A:PHE1119 4.3 0.3 1.0 N A:ASP1120 4.3 0.1 1.0 OE2 A:GLU1125 4.4 0.6 1.0 O A:PHE1119 4.4 0.3 1.0 C A:ASP1120 4.4 0.5 1.0 CD1 A:PHE1119 4.6 0.2 1.0 CD A:ARG272 4.6 0.8 1.0 C A:CYS1121 4.9 0.1 1.0 CG A:GLU1125 4.9 0.8 1.0 CA A:ASP1120 5.0 0.8 1.0 CD2 A:PHE1119 5.0 0.8 1.0

Mercury binding site 4 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1304 b:38.6 occ:0.13 SG A:CYS1223 2.4 0.3 1.0 CZ A:ARG1218 2.5 0.6 1.0 CG2 A:VAL1225 2.5 0.8 1.0 NE A:ARG1218 2.5 0.9 1.0 NH1 A:ARG1218 2.8 0.1 1.0 CD A:ARG1218 2.9 0.9 1.0 NH2 A:ARG1218 3.1 0.3 1.0 CB A:CYS1223 3.4 0.2 1.0 CB A:VAL1225 3.8 0.5 1.0 CB A:THR1061 3.9 0.8 1.0 CG A:ARG1218 4.0 0.3 1.0 CG2 A:THR1061 4.0 0.4 1.0 CD1 A:LEU1195 4.3 0.9 1.0 N A:VAL1225 4.5 0.9 1.0 OG1 A:THR1061 4.5 0.0 1.0 C A:CYS1223 4.6 0.9 1.0 CA A:CYS1223 4.6 0.1 1.0 CA A:VAL1225 4.7 0.2 1.0 CG1 A:VAL1225 4.8 0.5 1.0 N A:ILE1224 4.8 0.5 1.0 C A:ILE1224 4.9 1.0 1.0 O A:CYS1223 4.9 0.3 1.0 O A:LEU1062 4.9 0.0 1.0

Mercury binding site 5 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1305 b:65.0 occ:0.18 SG A:CYS133 2.3 79.6 1.0 OD2 A:ASP184 2.8 0.2 1.0 CB A:CYS133 3.2 0.2 1.0 CA A:CYS133 3.5 0.7 1.0 CG A:ASP184 3.9 0.1 1.0 O A:CYS133 4.3 1.0 1.0 OD1 A:ASP184 4.3 0.8 1.0 C A:CYS133 4.4 0.1 1.0 N A:CYS133 4.7 0.1 1.0 N A:ASP184 4.9 0.8 1.0

Mercury binding site 6 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range:

Mercury binding site 7 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1307 b:0.6 occ:0.16 OH A:TYR397 3.7 0.6 1.0 CB A:CYS427 3.8 0.6 1.0 SG A:CYS427 3.9 0.3 1.0 CE1 A:TYR397 4.2 0.0 1.0 CZ A:TYR397 4.4 0.2 1.0 CA A:CYS427 4.4 0.0 1.0 O A:CYS427 4.6 0.4 1.0 CB A:SER430 4.7 0.9 1.0 NE2 A:GLN434 4.8 0.7 1.0

Mercury binding site 8 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg1301 b:0.3 occ:0.59 OE1 B:GLN769 2.3 0.8 1.0 SG B:CYS713 2.5 0.6 1.0 CD B:GLN769 3.1 0.2 1.0 CB B:GLN769 3.3 1.0 1.0 CG B:GLN769 3.6 0.1 1.0 NE2 B:GLN834 3.7 0.8 1.0 N B:ALA714 3.7 0.7 1.0 CA B:ALA714 3.8 0.7 1.0 C B:CYS713 3.8 0.7 1.0 O B:THR765 3.8 0.2 1.0 O B:CYS713 3.9 0.9 1.0 CB B:CYS713 3.9 0.5 1.0 CB B:ASN717 3.9 0.3 1.0 CB B:THR765 4.0 0.7 1.0 C B:THR765 4.0 0.5 1.0 NE2 B:GLN769 4.2 0.8 1.0 OD1 B:ASN717 4.3 0.6 1.0 CD1 B:PHE766 4.3 0.5 1.0 CB B:ALA714 4.3 0.6 1.0 CG B:ASN717 4.4 0.2 1.0 CA B:GLN769 4.4 0.4 1.0 CA B:THR765 4.4 0.4 1.0 CA B:CYS713 4.5 0.5 1.0 CE1 B:PHE766 4.5 0.0 1.0 N B:PHE766 4.7 0.6 1.0 N B:GLN769 4.8 0.6 1.0 OG1 B:THR765 4.8 0.6 1.0 CG2 B:THR765 4.9 0.8 1.0 CD B:GLN834 5.0 0.9 1.0 C B:ALA714 5.0 0.6 1.0

Mercury binding site 9 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg1302 b:0.2 occ:0.47 OH B:TYR1040 3.4 0.6 1.0 CE1 B:TYR1040 3.5 0.7 1.0 CZ B:TYR1040 3.7 0.2 1.0 CD1 B:TYR1040 4.5 1.0 1.0 CE2 B:TYR1040 4.7 0.5 1.0

Mercury binding site 10 out of 13 in the Corrected Structure of Mouse P-Glycoprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 10 of Corrected Structure of Mouse P-Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg1303 b:0.5 occ:0.26 SG B:CYS427 3.1 0.1 1.0 CE2 B:TYR397 3.7 0.4 1.0 OH B:TYR397 3.7 0.2 1.0 CB B:CYS427 3.7 1.0 1.0 CZ B:TYR397 4.1 0.9 1.0 CA B:CYS427 4.6 0.2 1.0 CD2 B:TYR397 4.7 0.1 1.0

J.Li, K.F.Jaimes, S.G.Aller. Refined Structures of Mouse P-Glycoprotein. Protein Sci. V. 23 34 2014.
ISSN: ISSN 0961-8368
PubMed: 24155053
DOI: 10.1002/PRO.2387