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Zinc in PDB 7m26: Human Carbonic Anhydrase II in Complex with Pioglitazone

Enzymatic activity of Human Carbonic Anhydrase II in Complex with Pioglitazone

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Pioglitazone:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with Pioglitazone, PDB code: 7m26 was solved by S.L.Mueller, T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.66 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.379, 41.437, 72.069, 90, 104.38, 90
R / Rfree (%) 11.9 / 14.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with Pioglitazone (pdb code 7m26). 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 Human Carbonic Anhydrase II in Complex with Pioglitazone, PDB code: 7m26:

Zinc binding site 1 out of 1 in 7m26

Go back to Zinc Binding Sites List in 7m26
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with Pioglitazone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II in Complex with Pioglitazone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.9
occ:1.00
N3 A:P1B302 2.0 9.1 0.9
NE2 A:HIS94 2.0 6.7 1.0
ND1 A:HIS119 2.0 6.5 1.0
NE2 A:HIS96 2.0 7.0 1.0
CE1 A:HIS119 2.9 6.1 1.0
C4 A:P1B302 2.9 10.5 0.9
CD2 A:HIS96 3.0 7.5 1.0
O4 A:P1B302 3.0 12.8 0.9
CD2 A:HIS94 3.0 6.8 1.0
CE1 A:HIS94 3.0 6.9 1.0
C2 A:P1B302 3.0 11.0 0.9
CE1 A:HIS96 3.1 8.3 1.0
CG A:HIS119 3.1 6.4 1.0
O2 A:P1B302 3.3 13.4 0.9
CB A:HIS119 3.6 6.4 1.0
OG1 A:THR199 3.8 7.9 1.0
OE1 A:GLU106 3.9 8.0 1.0
NE2 A:HIS119 4.1 7.2 1.0
CG A:HIS96 4.1 7.2 1.0
ND1 A:HIS94 4.1 7.6 1.0
ND1 A:HIS96 4.2 8.2 1.0
CG A:HIS94 4.2 6.8 1.0
CD2 A:HIS119 4.2 6.2 1.0
C5 A:P1B302 4.2 10.6 0.9
S1 A:P1B302 4.5 10.4 0.8
CD A:GLU106 4.8 7.8 1.0
O A:HOH447 4.9 20.8 1.0
C6 A:P1B302 4.9 11.8 0.9

Reference:

S.L.Mueller, P.K.Chrysanthopoulos, M.A.Halili, C.Hepburn, T.Nebl, C.T.Supuran, A.Nocentini, T.S.Peat, S.A.Poulsen. The Glitazone Class of Drugs As Carbonic Anhydrase Inhibitors-A Spin-Off Discovery From Fragment Screening. Molecules V. 26 2021.
ISSN: ESSN 1420-3049
PubMed: 34070212
DOI: 10.3390/MOLECULES26103010
Page generated: Sat Apr 8 00:33:11 2023

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