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Zinc 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:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc 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:

Zinc binding site 1 out of 1 in 2hkk

Go back to Zinc Binding Sites List in 2hkk
Zinc 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 Zinc with other atoms in the Zn 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:Zn261

b:9.1
occ:1.00
 NE2 A:HIS94 2.0 5.1 1.0
ND1 A:HIS119 2.0 2.0 1.0
O A:HOH414 2.0 14.9 1.0
NE2 A:HIS96 2.1 3.3 1.0
CE1 A:HIS119 2.9 2.6 1.0
CD2 A:HIS94 2.9 4.4 1.0
CD2 A:HIS96 3.0 3.3 1.0
CE1 A:HIS94 3.0 5.7 1.0
CG A:HIS119 3.1 4.2 1.0
CE1 A:HIS96 3.1 4.7 1.0
CB A:HIS119 3.5 3.0 1.0
OG1 A:THR198 3.7 6.0 1.0
O A:HOH464 3.9 20.2 1.0
O A:HOH488 4.0 27.1 1.0
NE2 A:HIS119 4.1 2.5 1.0
OE1 A:GLU106 4.1 6.2 1.0
CG A:HIS94 4.1 5.5 1.0
ND1 A:HIS94 4.1 4.3 1.0
CG A:HIS96 4.2 3.7 1.0
CD2 A:HIS119 4.2 3.6 1.0
ND1 A:HIS96 4.2 3.8 1.0
O A:HOH363 4.4 23.4 1.0
CD A:GLU106 4.9 6.5 1.0
CA A:HIS119 5.0 3.8 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: Thu Oct 17 00:40:24 2024

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