Mercury in PDB 1dr5: 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: 1dr5 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 (°)	89.150, 48.270, 64.170, 90.00, 124.80, 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 1dr5). 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: 1dr5:
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:Hg190 b:62.0 occ:0.63 HG A:HG190 0.0 62.0 0.6 SG A:CYS11 2.5 57.5 0.6 HG A:HG190 2.5 59.2 0.4 O A:HOH705 2.5 58.1 1.0 CB A:CYS11 2.7 45.4 0.4 ND2 A:ASN13 2.8 61.2 1.0 OD1 A:ASN13 2.8 58.9 1.0 O A:PHE142 2.9 54.3 1.0 CG A:ASN13 3.0 55.6 1.0 SG A:CYS11 3.1 51.7 0.4 N A:PHE142 3.1 49.5 1.0 CB A:CYS11 3.3 46.8 0.6 N A:ASN13 3.6 31.9 1.0 N A:GLN12 3.7 41.5 1.0 CA A:GLU141 3.7 52.0 1.0 OG A:SER144 3.9 44.3 1.0 C A:PHE142 3.9 46.7 1.0 C A:CYS11 3.9 38.6 1.0 CA A:CYS11 3.9 38.0 1.0 C A:GLU141 3.9 52.5 1.0 CA A:PHE142 4.0 45.2 1.0 O A:HIS140 4.2 45.4 1.0 CB A:ASN13 4.3 45.1 1.0 CB A:GLU141 4.4 57.0 1.0 CA A:GLN12 4.4 44.1 1.0 C A:GLN12 4.5 37.0 1.0 CA A:ASN13 4.5 36.6 1.0 CB A:PHE142 4.5 40.0 1.0 N A:GLY15 4.5 26.4 1.0 N A:CYS11 4.6 36.5 1.0 O A:CYS11 4.6 34.1 1.0 CD1 A:PHE142 4.7 42.9 1.0 CA A:GLY15 4.7 25.9 1.0 CG A:GLU141 4.8 70.7 1.0 N A:GLU141 4.8 48.6 1.0 O A:HOH623 4.8 75.9 1.0 CB A:SER144 4.9 36.7 1.0 C A:HIS140 4.9 46.0 1.0 C A:ASN13 5.0 34.2 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:Hg190 b:59.2 occ:0.37 HG A:HG190 0.0 59.2 0.4 SG A:CYS11 1.6 57.5 0.6 SG A:CYS11 2.4 51.7 0.4 OG A:SER144 2.5 44.3 1.0 HG A:HG190 2.5 62.0 0.6 O A:HOH705 3.1 58.1 1.0 CB A:CYS11 3.3 45.4 0.4 O A:GLY15 3.3 27.9 1.0 CG A:PRO23 3.4 40.4 1.0 CB A:CYS11 3.4 46.8 0.6 O A:PHE142 3.5 54.3 1.0 CA A:GLY15 3.6 25.9 1.0 C A:GLY15 3.6 28.5 1.0 CZ3 A:TRP24 3.7 23.3 1.0 CB A:PRO23 3.7 37.6 1.0 CB A:SER144 3.7 36.7 1.0 ND2 A:ASN13 3.8 61.2 1.0 N A:GLY15 4.0 26.4 1.0 N A:CYS11 4.1 36.5 1.0 CA A:CYS11 4.1 38.0 1.0 CB A:PHE142 4.3 40.0 1.0 C A:PHE142 4.3 46.7 1.0 CE3 A:TRP24 4.3 33.7 1.0 N A:PHE142 4.4 49.5 1.0 N A:ILE16 4.5 23.5 1.0 CA A:PHE142 4.6 45.2 1.0 CD1 A:PHE142 4.7 42.9 1.0 CH2 A:TRP24 4.7 33.8 1.0 CG A:ASN13 4.7 55.6 1.0 C A:CYS11 4.8 38.6 1.0 CD A:PRO23 4.8 37.2 1.0 CA A:SER144 4.8 37.6 1.0 OD1 A:ASN13 4.9 58.9 1.0 N A:SER144 4.9 39.2 1.0 CG A:PHE142 5.0 40.7 1.0

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.