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Mercury in PDB 2hd6: Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide.

Enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide.

All present enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide.:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide., PDB code: 2hd6 was solved by G.De Simone, R.M.Vitale, A.Di Fiore, C.Pedone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.070, 41.260, 71.660, 90.00, 104.28, 90.00
R / Rfree (%) 18.4 / 21.7

Other elements in 2hd6:

The structure of Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide. (pdb code 2hd6). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide., PDB code: 2hd6:

Mercury binding site 1 out of 1 in 2hd6

Go back to Mercury Binding Sites List in 2hd6
Mercury binding site 1 out of 1 in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide.


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 the Human Carbonic Anhydrase II in Complex with A Hypoxia-Activatable Sulfonamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg265

b:22.7
occ:1.00
HG A:MBO265 0.0 22.7 1.0
CE1 A:MBO265 2.0 24.9 1.0
SG A:CYS206 2.2 20.7 1.0
O A:GLN137 2.9 8.2 1.0
CE2 A:MBO265 3.0 24.2 1.0
CE6 A:MBO265 3.0 24.8 1.0
CB A:CYS206 3.1 12.4 1.0
O A:GLU205 3.3 6.5 1.0
C A:GLN137 3.4 11.5 1.0
CA A:CYS206 3.4 11.1 1.0
C A:GLU205 3.4 9.7 1.0
N A:CYS206 3.6 10.8 1.0
N A:GLN137 3.8 12.4 1.0
O A:HOH419 3.9 20.8 1.0
O A:VAL135 3.9 12.5 1.0
N A:PRO138 4.0 10.3 1.0
CA A:GLN137 4.2 9.9 1.0
C A:GLN136 4.2 14.5 1.0
CA A:PRO138 4.2 10.4 1.0
N A:GLU205 4.2 8.4 1.0
C A:VAL135 4.3 13.4 1.0
CE3 A:MBO265 4.4 27.5 1.0
CE5 A:MBO265 4.4 26.5 1.0
CA A:GLU205 4.4 7.2 1.0
CA A:GLN136 4.6 15.8 1.0
N A:GLN136 4.6 13.8 1.0
O A:GLN136 4.7 14.8 1.0
CB A:LEU204 4.8 10.8 1.0
C A:LEU204 4.9 10.0 1.0
CE4 A:MBO265 4.9 26.5 1.0
C A:CYS206 4.9 10.1 1.0

Reference:

G.De Simone, R.M.Vitale, A.Di Fiore, C.Pedone, A.Scozzafava, J.L.Montero, J.Y.Winum, C.T.Supuran. Carbonic Anhydrase Inhibitors: Hypoxia-Activatable Sulfonamides Incorporating Disulfide Bonds That Target the Tumor-Associated Isoform IX. J.Med.Chem. V. 49 5544 2006.
ISSN: ISSN 0022-2623
PubMed: 16942027
DOI: 10.1021/JM060531J
Page generated: Wed Oct 28 18:41:35 2020

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