Mercury in PDB 5a40: Crystal Structure of A Dual Topology Fluoride Ion Channel.

The structure of Crystal Structure of A Dual Topology Fluoride Ion Channel., PDB code: 5a40 was solved by R.B.Stockbridge, L.Kolmakova-Partensky, T.Shane, A.Koide, S.Koide, C.Miller, S.Newstead, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	114.708 / 3.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	146.790, 183.700, 72.880, 90.00, 90.00, 90.00
R / Rfree (%)	23.48 / 26.97

The binding sites of Mercury atom in the Crystal Structure of A Dual Topology Fluoride Ion Channel. (pdb code 5a40). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Crystal Structure of A Dual Topology Fluoride Ion Channel., PDB code: 5a40:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Crystal Structure of A Dual Topology Fluoride Ion Channel.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of A Dual Topology Fluoride Ion Channel. within 5.0Å range: probe atom residue distance (Å) B Occ E:Hg1092 b:0.1 occ:1.00 SG A:CYS94 2.9 89.6 1.0 OD1 A:ASP91 3.5 93.8 1.0 NE2 E:HIS81 3.7 0.5 1.0 CE1 E:HIS81 3.7 0.2 1.0 OH E:TYR75 3.9 98.9 1.0 CE1 E:TYR73 3.9 64.0 1.0 CD1 E:TYR73 4.1 64.1 1.0 CG A:ARG95 4.1 68.0 1.0 CD A:ARG95 4.2 68.8 1.0 CD2 E:HIS81 4.2 0.9 1.0 ND1 E:HIS81 4.2 0.1 1.0 O A:ASP91 4.3 71.4 1.0 CB A:CYS94 4.4 72.3 1.0 N A:ARG95 4.5 60.4 1.0 CG E:HIS81 4.5 96.8 1.0 CZ E:TYR73 4.7 66.7 1.0 CG A:ASP91 4.7 95.6 1.0 C A:CYS94 4.8 61.1 1.0 CA A:ARG95 4.8 62.2 1.0 CZ E:TYR75 4.8 85.5 1.0 CB A:ARG95 4.9 65.7 1.0 CG E:TYR73 4.9 63.1 1.0

Mercury binding site 2 out of 4 in the Crystal Structure of A Dual Topology Fluoride Ion Channel.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of A Dual Topology Fluoride Ion Channel. within 5.0Å range: probe atom residue distance (Å) B Occ F:Hg1092 b:0.4 occ:1.00 SG B:CYS94 3.0 85.1 1.0 OD1 B:ASP91 3.2 93.4 1.0 OH F:TYR75 3.7 97.7 1.0 NE2 F:HIS81 3.8 97.5 1.0 CE1 F:HIS81 3.9 96.4 1.0 CE1 F:TYR73 3.9 59.4 1.0 CD B:ARG95 4.0 72.3 1.0 CD1 F:TYR73 4.0 59.4 1.0 O B:ASP91 4.0 65.5 1.0 CG B:ARG95 4.0 71.2 1.0 CB B:CYS94 4.3 76.4 1.0 CD2 F:HIS81 4.3 87.5 1.0 ND1 F:HIS81 4.4 93.2 1.0 N B:ARG95 4.4 64.3 1.0 CG B:ASP91 4.4 94.7 1.0 CG F:HIS81 4.6 84.1 1.0 CZ F:TYR73 4.7 64.8 1.0 CZ F:TYR75 4.7 87.9 1.0 CA B:ARG95 4.7 63.9 1.0 C B:CYS94 4.7 67.6 1.0 C B:ASP91 4.7 66.0 1.0 CA B:ASP91 4.7 76.3 1.0 CG F:TYR73 4.7 64.9 1.0 CB B:ARG95 4.7 67.2 1.0

Mercury binding site 3 out of 4 in the Crystal Structure of A Dual Topology Fluoride Ion Channel.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of A Dual Topology Fluoride Ion Channel. within 5.0Å range: probe atom residue distance (Å) B Occ G:Hg1092 b:0.4 occ:1.00 SG C:CYS94 3.0 84.2 1.0 OD1 C:ASP91 3.3 82.1 1.0 NE2 G:HIS81 3.5 0.8 1.0 CE1 G:TYR73 3.8 63.3 1.0 CE1 G:HIS81 3.9 0.2 1.0 CD2 G:HIS81 3.9 99.5 1.0 CD1 G:TYR73 4.0 61.8 1.0 OH G:TYR75 4.0 64.8 1.0 CD C:ARG95 4.2 73.7 1.0 CG C:ARG95 4.2 72.2 1.0 O C:ASP91 4.2 51.2 1.0 CB C:CYS94 4.3 69.4 1.0 N C:ARG95 4.5 66.3 1.0 CG C:ASP91 4.6 79.9 1.0 CZ G:TYR73 4.6 60.7 1.0 ND1 G:HIS81 4.6 96.2 1.0 CG G:HIS81 4.6 90.3 1.0 CG G:TYR73 4.8 59.8 1.0 C C:CYS94 4.8 64.3 1.0 CA C:ARG95 4.8 65.4 1.0 CA C:ASP91 4.9 62.0 1.0 CB C:ARG95 4.9 69.8 1.0 C C:ASP91 4.9 54.5 1.0 CZ G:TYR75 5.0 60.8 1.0

Mercury binding site 4 out of 4 in the Crystal Structure of A Dual Topology Fluoride Ion Channel.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of A Dual Topology Fluoride Ion Channel. within 5.0Å range: probe atom residue distance (Å) B Occ H:Hg1092 b:0.9 occ:1.00 SG D:CYS94 3.1 91.5 1.0 OD1 D:ASP91 3.4 83.9 1.0 NE2 H:HIS81 3.6 96.0 1.0 CE1 H:HIS81 3.7 98.4 1.0 CE1 H:TYR73 3.9 61.7 1.0 OH H:TYR75 3.9 59.7 1.0 CD1 H:TYR73 4.0 62.5 1.0 CG D:ARG95 4.2 62.2 1.0 CD D:ARG95 4.2 58.2 1.0 CD2 H:HIS81 4.2 84.1 1.0 ND1 H:HIS81 4.2 92.7 1.0 O D:ASP91 4.4 52.3 1.0 CG H:HIS81 4.5 80.4 1.0 CB D:CYS94 4.5 76.2 1.0 N D:ARG95 4.6 67.3 1.0 CZ H:TYR73 4.6 56.0 1.0 CG D:ASP91 4.6 84.2 1.0 CZ H:TYR75 4.8 58.9 1.0 CG H:TYR73 4.8 57.8 1.0 CA D:ARG95 4.9 65.9 1.0 C D:CYS94 4.9 69.6 1.0 CB D:ARG95 5.0 64.9 1.0

R.B.Stockbridge, L.Kolmakova-Partensky, T.Shane, A.Koide, S.Koide, C.Miller, S.Newstead. Crystal Structures of A Double-Barrelled Fluoride Ion Channel. Nature V.525 548 2015.
ISSN: ISSN 0028-0836
PubMed: 26344196
DOI: 10.1038/NATURE14981