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Mercury in PDB 2hkk: Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms

Enzymatic activity of Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms

All present enzymatic activity of Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms, PDB code: 2hkk was solved by C.Temperini, A.Innocenti, D.Vullo, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.100, 41.430, 72.200, 90.00, 104.48, 90.00
R / Rfree (%) 18.6 / 23.3

Other elements in 2hkk:

The structure of Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms (pdb code 2hkk). 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 Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms, PDB code: 2hkk:

Mercury binding site 1 out of 1 in 2hkk

Go back to Mercury Binding Sites List in 2hkk
Mercury binding site 1 out of 1 in the Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase Activators: Solution and X-Ray Crystallography For the Interaction of Andrenaline with Various Carbonic Anhydrase Isoforms within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg262

b:28.2
occ:1.00
SG A:CYS205 2.2 17.1 1.0
O A:GLN136 2.9 12.4 1.0
CB A:CYS205 3.1 10.2 1.0
O A:GLU204 3.1 9.4 1.0
O A:HOH384 3.1 24.5 1.0
C A:GLN136 3.3 12.4 1.0
C A:GLU204 3.4 9.7 1.0
CA A:CYS205 3.4 10.2 1.0
N A:CYS205 3.6 9.5 1.0
N A:GLN136 3.6 13.2 1.0
N A:PRO137 3.9 12.0 1.0
O A:VAL134 3.9 14.8 1.0
C A:GLN135 3.9 13.9 1.0
O A:HOH450 4.0 21.6 1.0
CA A:GLN136 4.0 12.9 1.0
CA A:PRO137 4.1 11.6 1.0
N A:GLU204 4.3 9.7 1.0
C A:VAL134 4.3 13.7 1.0
CA A:GLU204 4.4 9.7 1.0
O A:GLN135 4.4 13.4 1.0
CA A:GLN135 4.5 14.4 1.0
N A:GLN135 4.6 13.7 1.0
O A:HOH479 4.6 11.1 1.0
C A:CYS205 4.9 9.2 1.0
C A:LEU203 4.9 9.8 1.0
C A:PRO137 5.0 11.0 1.0
CB A:LEU203 5.0 9.9 1.0
CD A:PRO137 5.0 11.9 1.0

Reference:

C.Temperini, A.Innocenti, A.Scozzafava, A.Mastrolorenzo, C.T.Supuran. Carbonic Anhydrase Activators: L-Adrenaline Plugs the Active Site Entrance of Isozyme II, Activating Better Isoforms I, IV, Va, VII, and Xiv. Bioorg.Med.Chem.Lett. V. 17 628 2007.
ISSN: ISSN 0960-894X
PubMed: 17127057
DOI: 10.1016/J.BMCL.2006.11.027
Page generated: Wed Oct 28 18:41:36 2020

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