Mercury in PDB 4ia4: Structure of the Spinach Aquaporin SOPIP2;1 at pH 6

The structure of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6, PDB code: 4ia4 was solved by A.Frick, M.Jarva, S.Tornroth-Horsefield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.11 / 3.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	178.227, 104.190, 66.523, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 24.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Mercury atom in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 (pdb code 4ia4). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 12 binding sites of Mercury where determined in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6, PDB code: 4ia4:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg301 b:1.0 occ:1.00 SG A:CYS91 3.1 77.4 1.0 OG1 D:THR178 3.4 83.1 1.0 CD2 D:TYR177 3.8 94.5 1.0 O D:VAL174 3.9 89.3 1.0 CB A:CYS91 4.0 80.4 1.0 CD2 A:LEU88 4.2 66.6 1.0 N D:THR178 4.3 88.6 1.0 CE2 D:TYR177 4.3 93.1 1.0 CG1 D:VAL174 4.3 90.1 1.0 CG D:TYR177 4.3 88.5 1.0 CG1 A:VAL87 4.3 62.0 1.0 CA D:THR178 4.4 87.6 1.0 CB D:THR178 4.5 85.8 1.0 CB D:TYR177 4.6 85.0 1.0 CA D:VAL174 4.6 92.2 1.0 C D:VAL174 4.6 90.2 1.0 C D:TYR177 4.7 88.8 1.0 CA A:LEU88 4.7 68.8 1.0 O A:VAL87 4.8 67.9 1.0 CG A:LEU88 4.9 70.0 1.0 N A:LEU88 4.9 66.1 1.0 C A:VAL87 5.0 66.6 1.0 CD1 A:LEU50 5.0 81.3 1.0

Mercury binding site 2 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg302 b:0.3 occ:1.00 SG A:CYS127 2.6 96.2 1.0 O A:MET123 3.0 0.5 1.0 CB A:CYS127 3.3 98.6 1.0 C A:MET123 3.5 0.3 1.0 CB A:MET123 3.8 95.4 1.0 CH2 A:TRP246 3.9 0.1 1.0 N A:ILE124 4.1 0.7 1.0 CA A:MET123 4.1 99.2 1.0 CA A:ILE124 4.3 0.2 1.0 CA A:CYS127 4.5 0.6 1.0 N A:CYS127 4.5 0.2 1.0 CZ3 A:TRP246 4.7 0.1 1.0 CG A:MET123 4.8 92.8 1.0 CZ2 A:TRP246 4.8 0.5 1.0

Mercury binding site 3 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg303 b:0.3 occ:1.00 SG A:CYS132 2.8 0.7 1.0 O A:LEU128 3.0 0.0 1.0 N A:CYS132 3.7 0.2 1.0 CB A:CYS132 3.8 0.1 1.0 C A:LEU128 4.0 0.4 1.0 CA A:CYS132 4.0 0.7 1.0 CB A:ILE131 4.2 0.4 1.0 CA A:LEU128 4.2 0.0 1.0 CD2 A:LEU128 4.5 0.3 1.0 C A:ILE131 4.5 0.5 1.0 CB A:LEU128 4.6 0.4 1.0 CG2 A:ILE131 4.6 0.5 1.0 CA A:ILE131 4.9 0.2 1.0 CE1 A:PHE45 5.0 91.4 1.0

Mercury binding site 4 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg304 b:0.3 occ:1.00 SG C:CYS91 2.8 62.0 1.0 OG1 A:THR178 3.3 69.5 1.0 CD2 A:TYR177 3.3 75.9 1.0 CE2 A:TYR177 3.7 77.4 1.0 CG1 C:VAL87 3.8 60.4 1.0 CB C:CYS91 3.9 63.7 1.0 O A:VAL174 3.9 73.7 1.0 CG A:TYR177 3.9 76.4 1.0 N A:THR178 4.3 75.0 1.0 CB A:TYR177 4.3 74.8 1.0 CG1 A:VAL174 4.4 74.1 1.0 CB A:THR178 4.5 71.0 1.0 CA A:THR178 4.5 74.0 1.0 O C:VAL87 4.5 61.3 1.0 C A:TYR177 4.6 74.8 1.0 CZ A:TYR177 4.7 79.5 1.0 CA A:VAL174 4.7 73.5 1.0 C A:VAL174 4.7 74.2 1.0 CD2 C:LEU88 4.8 45.9 1.0 CD1 A:TYR177 4.8 78.9 1.0 C C:VAL87 4.9 62.0 1.0

Mercury binding site 5 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg301 b:0.2 occ:1.00 SG B:CYS91 2.9 72.7 1.0 OG1 C:THR178 3.4 69.3 1.0 CD2 C:TYR177 3.8 83.5 1.0 CG1 B:VAL87 3.8 67.2 1.0 CB B:CYS91 3.8 73.3 1.0 O C:VAL174 4.0 80.8 1.0 CE2 C:TYR177 4.1 83.2 1.0 CD2 B:LEU88 4.1 69.5 1.0 CG C:TYR177 4.3 82.0 1.0 N C:THR178 4.4 71.3 1.0 CB C:THR178 4.4 65.5 1.0 CA C:THR178 4.5 70.0 1.0 CG1 C:VAL174 4.6 75.3 1.0 CG2 C:THR178 4.7 58.8 1.0 CB C:TYR177 4.7 77.7 1.0 CA B:LEU88 4.8 67.9 1.0 O B:VAL87 4.8 71.5 1.0 N B:LEU88 4.8 68.1 1.0 C B:VAL87 4.8 69.2 1.0 CZ C:TYR177 4.8 86.4 1.0 C C:VAL174 4.9 79.0 1.0 C C:TYR177 4.9 73.2 1.0 CA C:VAL174 4.9 77.6 1.0 CB B:VAL87 5.0 67.4 1.0 CD1 B:LEU50 5.0 63.6 1.0 CG B:LEU88 5.0 71.4 1.0

Mercury binding site 6 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg302 b:0.3 occ:1.00 SG B:CYS127 2.6 0.2 1.0 O B:MET123 2.9 0.8 1.0 CB B:CYS127 3.3 97.5 1.0 C B:MET123 3.7 1.0 1.0 CH2 B:TRP246 3.8 1.0 1.0 CB B:MET123 4.2 95.7 1.0 N B:ILE124 4.4 0.7 1.0 CA B:MET123 4.4 98.3 1.0 CA B:ILE124 4.5 0.0 1.0 CA B:CYS127 4.5 98.0 1.0 CZ3 B:TRP246 4.5 0.8 1.0 N B:CYS127 4.6 97.7 1.0 CZ2 B:TRP246 4.8 1.0 1.0

Mercury binding site 7 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg303 b:0.6 occ:1.00 O B:LEU128 3.0 0.1 1.0 SG B:CYS132 3.3 0.7 1.0 CB B:CYS132 3.5 0.5 1.0 N B:CYS132 3.6 99.5 1.0 CA B:CYS132 3.9 0.4 1.0 C B:LEU128 4.1 0.3 1.0 CB B:ILE131 4.1 92.6 1.0 C B:ILE131 4.2 97.5 1.0 CG2 B:ILE131 4.4 89.4 1.0 CA B:LEU128 4.5 0.6 1.0 CD2 B:LEU128 4.6 94.1 1.0 CA B:ILE131 4.7 96.3 1.0 CE1 B:PHE45 4.7 74.8 1.0 CB B:LEU128 4.9 98.5 1.0 O B:ILE131 4.9 95.4 1.0

Mercury binding site 8 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg304 b:0.7 occ:1.00 SG D:CYS91 2.9 71.5 1.0 OG1 B:THR178 3.2 88.2 1.0 CG1 D:VAL87 3.8 71.5 1.0 CB D:CYS91 3.8 80.9 1.0 CD2 B:TYR177 3.9 81.5 1.0 O B:VAL174 3.9 81.9 1.0 CD2 D:LEU88 4.0 67.3 1.0 CE2 B:TYR177 4.2 83.5 1.0 CG B:TYR177 4.2 79.3 1.0 CB B:THR178 4.5 84.6 1.0 N B:THR178 4.5 82.1 1.0 CB B:TYR177 4.6 77.0 1.0 CG1 B:VAL174 4.6 83.7 1.0 CA B:THR178 4.6 84.2 1.0 CD1 B:TYR177 4.8 81.9 1.0 C B:VAL174 4.8 85.5 1.0 CZ B:TYR177 4.8 85.6 1.0 CA B:VAL174 4.8 86.9 1.0 CD1 D:LEU50 4.8 83.6 1.0 O D:VAL87 4.8 80.5 1.0 C B:TYR177 4.9 81.2 1.0 C D:VAL87 4.9 78.2 1.0 CA D:LEU88 4.9 78.0 1.0

Mercury binding site 9 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg301 b:0.7 occ:1.00 SG C:CYS127 2.6 92.9 1.0 O C:MET123 3.3 88.7 1.0 CH2 C:TRP246 3.6 90.2 1.0 CB C:CYS127 3.6 89.5 1.0 C C:MET123 3.8 85.6 1.0 CB C:MET123 4.1 85.8 1.0 CZ3 C:TRP246 4.2 89.5 1.0 CA C:MET123 4.3 84.7 1.0 N C:ILE124 4.4 83.8 1.0 CA C:ILE124 4.6 82.5 1.0 CZ2 C:TRP246 4.6 91.3 1.0 CG C:PRO102 4.7 78.5 1.0 CA C:CYS127 4.8 88.4 1.0 N C:CYS127 4.8 86.7 1.0 CG C:MET123 4.9 91.2 1.0

Mercury binding site 10 out of 12 in the Structure of the Spinach Aquaporin SOPIP2;1 at pH 6


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 10 of Structure of the Spinach Aquaporin SOPIP2;1 at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg302 b:0.8 occ:1.00 SG C:CYS132 2.6 94.7 1.0 O C:LEU128 3.0 84.8 1.0 CB C:CYS132 3.6 87.4 1.0 N C:CYS132 3.7 82.1 1.0 C C:LEU128 3.9 83.0 1.0 CA C:CYS132 3.9 84.2 1.0 CB C:ILE131 4.1 77.8 1.0 C C:ILE131 4.2 82.1 1.0 CA C:LEU128 4.2 82.8 1.0 CG2 C:ILE131 4.4 74.0 1.0 CB C:LEU128 4.6 81.0 1.0 CA C:ILE131 4.7 80.4 1.0 CE1 C:PHE45 4.7 58.3 1.0 O C:ILE131 4.7 82.4 1.0 CD2 C:LEU128 4.8 77.2 1.0 CZ C:PHE45 5.0 56.5 1.0

A.Frick, M.Jarva, S.Tornroth-Horsefield. Structural Basis For pH Gating of Plant Aquaporins Febs Lett. V. 587 989 2013.
ISSN: ISSN 0014-5793
PubMed: 23454640
DOI: 10.1016/J.FEBSLET.2013.02.038