Mercury in PDB 1dr7: Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes

All present enzymatic activity of Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes:
1.5.1.3;

The structure of Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes, PDB code: 1dr7 was solved by M.A.Mctigue, J.F.Davies /Ii, B.T.Kaufman, N.-H.Xuong, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.720, 48.740, 63.870, 90.00, 124.40, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Mercury atom in the Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes (pdb code 1dr7). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes, PDB code: 1dr7:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg201 b:46.8 occ:0.65 HG A:MBO201 0.0 46.8 0.7 HG A:MBO201 1.2 45.5 0.3 CE1 A:MBO201 2.1 52.1 0.7 SG A:CYS11 2.4 35.4 0.7 O A:PHE142 2.7 44.0 1.0 CE6 A:MBO201 3.0 54.3 0.7 CE2 A:MBO201 3.0 54.5 0.7 N A:PHE142 3.1 50.3 1.0 SG A:CYS11 3.1 36.5 0.3 CB A:CYS11 3.3 31.6 0.7 N A:GLN12 3.5 44.0 1.0 CB A:CYS11 3.5 36.2 0.3 CA A:GLU141 3.6 55.5 1.0 N A:ASN13 3.6 42.3 1.0 O A:HIS140 3.7 57.5 1.0 C A:PHE142 3.7 43.8 1.0 C A:GLU141 3.8 54.2 1.0 C A:CYS11 3.9 36.2 1.0 CA A:CYS11 4.0 32.0 1.0 CA A:PHE142 4.1 41.9 1.0 OG A:SER144 4.1 33.4 1.0 CA A:GLN12 4.2 45.3 1.0 CE5 A:MBO201 4.3 58.6 0.7 CB A:ASN13 4.3 50.3 1.0 CE3 A:MBO201 4.3 58.6 0.7 C A:GLN12 4.4 39.7 1.0 CB A:GLU141 4.5 59.1 1.0 CA A:ASN13 4.5 45.8 1.0 C A:HIS140 4.5 55.6 1.0 N A:GLU141 4.5 56.4 1.0 CB A:PHE142 4.7 33.7 1.0 O A:CYS11 4.7 40.0 1.0 CB A:GLN12 4.8 51.8 1.0 CE4 A:MBO201 4.8 64.7 0.7 N A:GLU143 4.9 41.1 1.0 N A:GLY15 5.0 25.2 1.0 N A:CYS11 5.0 34.0 1.0 O A:GLU141 5.0 56.6 1.0

Mercury binding site 2 out of 2 in the Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg201 b:45.5 occ:0.35 HG A:MBO201 0.0 45.5 0.3 HG A:MBO201 1.2 46.8 0.7 SG A:CYS11 1.7 35.4 0.7 SG A:CYS11 2.4 36.5 0.3 O A:PHE142 2.5 44.0 1.0 CE1 A:MBO201 3.0 52.1 0.7 OG A:SER144 3.1 33.4 1.0 CB A:CYS11 3.1 31.6 0.7 CB A:CYS11 3.3 36.2 0.3 N A:PHE142 3.6 50.3 1.0 CE6 A:MBO201 3.6 54.3 0.7 C A:PHE142 3.7 43.8 1.0 CA A:CYS11 3.9 32.0 1.0 N A:GLN12 3.9 44.0 1.0 C A:CYS11 4.0 36.2 1.0 N A:ASN13 4.0 42.3 1.0 N A:GLY15 4.2 25.2 1.0 CE2 A:MBO201 4.2 54.5 0.7 CB A:SER144 4.2 28.5 1.0 CA A:PHE142 4.2 41.9 1.0 CA A:GLY15 4.3 23.9 1.0 O A:HIS140 4.5 57.5 1.0 N A:CYS11 4.5 34.0 1.0 CB A:PHE142 4.5 33.7 1.0 CB A:ASN13 4.5 50.3 1.0 C A:GLU141 4.6 54.2 1.0 CA A:GLU141 4.6 55.5 1.0 O A:GLY15 4.6 26.4 1.0 O A:CYS11 4.7 40.0 1.0 CA A:ASN13 4.7 45.8 1.0 CA A:GLN12 4.8 45.3 1.0 N A:SER144 4.8 33.0 1.0 N A:GLU143 4.8 41.1 1.0 C A:GLY15 4.8 26.1 1.0 C A:GLN12 4.9 39.7 1.0 O A:HOH623 4.9 59.2 1.0 N A:MET14 5.0 44.9 1.0 CE5 A:MBO201 5.0 58.6 0.7

M.A.Mctigue, J.F.Davies Ii, B.T.Kaufman, N.-H.Xuong, J.Kraut. Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes To Be Published.