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Zinc in PDB 2abe: Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators

Enzymatic activity of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators

All present enzymatic activity of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators, PDB code: 2abe was solved by C.Temperini, A.Scozzafava, L.Puccetti, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.700, 41.790, 72.830, 90.00, 104.47, 90.00
R / Rfree (%) 18.2 / 21.8

Other elements in 2abe:

The structure of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators also contains other interesting chemical elements:

Mercury (Hg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators (pdb code 2abe). 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: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators, PDB code: 2abe:

Zinc binding site 1 out of 1 in 2abe

Go back to Zinc Binding Sites List in 2abe
Zinc binding site 1 out of 1 in the Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators


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: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:12.9
occ:1.00
NE2 A:HIS96 2.1 5.7 1.0
NE2 A:HIS94 2.1 8.7 1.0
ND1 A:HIS119 2.2 6.9 1.0
O A:HOH433 2.3 1.0 0.5
CD2 A:HIS94 2.9 7.3 1.0
CD2 A:HIS96 2.9 9.2 1.0
CE1 A:HIS119 3.1 8.7 1.0
CE1 A:HIS96 3.2 11.5 1.0
CE1 A:HIS94 3.2 8.9 1.0
CG A:HIS119 3.3 8.8 1.0
CB A:HIS119 3.6 6.2 1.0
OG1 A:THR199 3.7 10.8 1.0
O A:HOH418 3.8 20.7 1.0
OE1 A:GLU106 3.9 13.1 1.0
O A:HOH419 4.0 22.5 1.0
CG A:HIS94 4.1 7.1 1.0
CG A:HIS96 4.1 9.3 1.0
ND1 A:HIS96 4.2 10.2 1.0
ND1 A:HIS94 4.2 7.0 1.0
NE2 A:HIS119 4.2 7.6 1.0
CD2 A:HIS119 4.3 7.7 1.0
CD A:GLU106 4.8 13.2 1.0

Reference:

C.Temperini, A.Scozzafava, L.Puccetti, C.T.Supuran. Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators. Bioorg.Med.Chem.Lett. V. 15 5136 2005.
ISSN: ISSN 0960-894X
PubMed: 16214338
DOI: 10.1016/J.BMCL.2005.08.069
Page generated: Wed Dec 16 03:17:10 2020

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