Mercury in PDB 1lug: Full Matrix Error Analysis of Carbonic Anhydrase

All present enzymatic activity of Full Matrix Error Analysis of Carbonic Anhydrase:
4.2.1.1;

The structure of Full Matrix Error Analysis of Carbonic Anhydrase, PDB code: 1lug was solved by E.A.Merritt, I.Le Trong, C.A.Behnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 0.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.064, 41.311, 71.868, 90.00, 104.23, 90.00
R / Rfree (%)	11.9 / 14.1

The structure of Full Matrix Error Analysis of Carbonic Anhydrase also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Mercury atom in the Full Matrix Error Analysis of Carbonic Anhydrase (pdb code 1lug). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Full Matrix Error Analysis of Carbonic Anhydrase, PDB code: 1lug:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in the Full Matrix Error Analysis of Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Full Matrix Error Analysis of Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1005 b:13.7 occ:0.14 C7 A:SUA1002 2.3 12.6 0.5 S2 A:SUA1002 2.7 31.1 0.5 N2 A:SUA1002 3.5 19.7 1.0 C7 A:SUA1002 3.6 21.3 0.5 CE1 A:PHE130 3.6 13.8 1.0 CZ A:PHE130 4.1 11.7 1.0 CD A:PRO201 4.3 9.4 1.0 CG A:PRO201 4.4 10.6 1.0 CD1 A:LEU197 4.5 8.9 1.0 O3 A:SUA1002 4.7 29.2 0.5 C6 A:SUA1002 4.7 14.1 1.0 CD1 A:PHE130 4.8 11.9 1.0 CG2 A:VAL134 4.9 11.9 1.0

Mercury binding site 2 out of 3 in the Full Matrix Error Analysis of Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Full Matrix Error Analysis of Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1205 b:8.1 occ:0.60 HG A:MBO1205 0.0 8.1 0.6 HG A:MBO1205 1.3 8.8 0.4 CE1 A:MBO1205 1.4 7.6 0.4 CE6 A:MBO1205 1.9 9.7 0.4 CE1 A:MBO1205 2.1 9.6 0.6 SG A:CYS205 2.3 7.3 0.6 CE2 A:MBO1205 2.9 11.8 0.4 O A:GLN136 2.9 7.6 1.0 O A:HOH1905 3.0 12.4 0.6 O A:GLU204 3.0 8.3 1.0 CE6 A:MBO1205 3.1 10.7 0.6 CE2 A:MBO1205 3.1 12.1 0.6 CB A:CYS205 3.3 7.4 0.6 SG A:CYS205 3.3 8.1 0.4 C A:GLN136 3.3 7.4 1.0 CE5 A:MBO1205 3.3 13.2 0.4 C A:GLU204 3.4 6.6 1.0 CA A:CYS205 3.5 5.9 1.0 N A:CYS205 3.7 6.0 1.0 N A:GLN136 3.7 7.9 1.0 O A:HOH2246 3.8 16.6 1.0 CB A:CYS205 3.8 7.1 0.4 N A:PRO137 3.9 7.5 1.0 CE3 A:MBO1205 4.0 11.4 0.4 CA A:PRO137 4.0 8.2 1.0 CA A:GLN136 4.1 8.2 1.0 O A:VAL134 4.1 11.7 1.0 CE4 A:MBO1205 4.1 13.7 0.4 O A:HOH1905 4.2 15.1 0.4 N A:GLU204 4.2 6.7 1.0 C A:GLN135 4.2 9.4 1.0 CA A:GLU204 4.3 6.5 1.0 CE5 A:MBO1205 4.4 12.4 0.6 CE3 A:MBO1205 4.4 12.7 0.6 C A:VAL134 4.6 9.0 1.0 O A:GLN135 4.7 11.1 1.0 CA A:GLN135 4.7 11.3 1.0 CD A:PRO137 4.9 10.0 1.0 O A:HOH2298 4.9 31.2 1.0 C A:LEU203 4.9 5.9 1.0 C A:PRO137 4.9 7.5 1.0 CB A:GLU204 4.9 7.7 1.0 CE4 A:MBO1205 4.9 14.8 0.6 N A:GLN135 5.0 9.8 1.0 C A:CYS205 5.0 6.2 1.0

Mercury binding site 3 out of 3 in the Full Matrix Error Analysis of Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Full Matrix Error Analysis of Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1205 b:8.8 occ:0.40 HG A:MBO1205 0.0 8.8 0.4 HG A:MBO1205 1.3 8.1 0.6 SG A:CYS205 1.3 7.3 0.6 CE1 A:MBO1205 1.9 7.6 0.4 SG A:CYS205 2.3 8.1 0.4 O A:HOH1905 2.5 12.4 0.6 CB A:CYS205 2.7 7.4 0.6 CE6 A:MBO1205 2.9 9.7 0.4 CE2 A:MBO1205 3.0 11.8 0.4 O A:VAL134 3.0 11.7 1.0 O A:GLN136 3.2 7.6 1.0 CB A:CYS205 3.2 7.1 0.4 CE1 A:MBO1205 3.3 9.6 0.6 CA A:CYS205 3.5 5.9 1.0 C A:VAL134 3.6 9.0 1.0 N A:GLN136 3.6 7.9 1.0 N A:CYS205 3.7 6.0 1.0 C A:GLU204 3.7 6.6 1.0 O A:GLU204 3.7 8.3 1.0 C A:GLN136 3.8 7.4 1.0 O A:HOH2246 3.9 16.6 1.0 CE2 A:MBO1205 4.1 12.1 0.6 C A:GLN135 4.1 9.4 1.0 N A:GLU204 4.1 6.7 1.0 CA A:VAL134 4.2 9.2 1.0 CB A:LEU203 4.2 7.8 1.0 N A:GLN135 4.2 9.8 1.0 CA A:GLN135 4.3 11.3 1.0 CE5 A:MBO1205 4.3 13.2 0.4 CE6 A:MBO1205 4.3 10.7 0.6 CE3 A:MBO1205 4.3 11.4 0.4 CA A:GLN136 4.3 8.2 1.0 C A:LEU203 4.5 5.9 1.0 CA A:GLU204 4.6 6.5 1.0 O A:ALA133 4.6 7.8 1.0 N A:PRO137 4.7 7.5 1.0 CE4 A:MBO1205 4.8 13.7 0.4 O A:GLN135 4.8 11.1 1.0 CB A:VAL134 4.9 10.5 1.0 CA A:LEU203 4.9 7.0 1.0 CA A:PRO137 4.9 8.2 1.0 C A:CYS205 4.9 6.2 1.0

C.A.Behnke, I.Le Trong, J.W.Godden, E.A.Merritt, D.C.Teller, J.Bajorath, R.E.Stenkamp. Atomic Resolution Studies of Carbonic Anhydrase II. Acta Crystallogr.,Sect.D V. 66 616 2010.
ISSN: ISSN 0907-4449
PubMed: 20445237
DOI: 10.1107/S0907444910006554