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Zinc in PDB 1ze8: Carbonic Anhydrase II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor

Enzymatic activity of Carbonic Anhydrase II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor

All present enzymatic activity of Carbonic Anhydrase II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor, PDB code: 1ze8 was solved by V.Menchise, G.De Simone, V.Alterio, A.Di Fiore, C.Pedone, 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 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.170, 41.390, 72.040, 90.00, 104.29, 90.00
R / Rfree (%) 20.4 / 25.1

Other elements in 1ze8:

The structure of Carbonic Anhydrase II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor (pdb code 1ze8). 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 II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor, PDB code: 1ze8:

Zinc binding site 1 out of 1 in 1ze8

Go back to Zinc Binding Sites List in 1ze8
Zinc binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II in Complex with A Membrane-Impermeant Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn263

b:14.4
occ:1.00
 NE2 A:HIS96 2.0 14.6 1.0
NE2 A:HIS94 2.0 8.6 1.0
N1 A:PIU1 2.0 10.9 1.0
ND1 A:HIS119 2.1 11.5 1.0
CD2 A:HIS96 2.9 14.2 1.0
O2 A:PIU1 2.9 12.0 1.0
CD2 A:HIS94 2.9 7.3 1.0
CE1 A:HIS119 3.0 12.7 1.0
CE1 A:HIS96 3.0 14.0 1.0
CE1 A:HIS94 3.0 10.4 1.0
S1 A:PIU1 3.1 12.7 1.0
CG A:HIS119 3.2 10.7 1.0
CB A:HIS119 3.6 8.4 1.0
OG1 A:THR199 3.7 8.6 1.0
OE1 A:GLU106 3.8 10.5 1.0
CG A:HIS96 4.0 12.5 1.0
ND1 A:HIS96 4.1 13.5 1.0
CG A:HIS94 4.1 9.3 1.0
O1 A:PIU1 4.1 10.9 1.0
ND1 A:HIS94 4.1 7.5 1.0
NE2 A:HIS119 4.1 10.9 1.0
CD2 A:HIS119 4.2 11.8 1.0
C5 A:PIU1 4.3 15.7 1.0
C1 A:GOL700 4.7 23.8 1.0
CD A:GLU106 4.8 9.0 1.0
C4 A:PIU1 4.9 18.9 1.0

Reference:

V.Menchise, G.De Simone, V.Alterio, A.Di Fiore, C.Pedone, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors: Stacking with PHE131 Determines Active Site Binding Region of Inhibitors As Exemplified By the X-Ray Crystal Structure of A Membrane-Impermeant Antitumor Sulfonamide Complexed with Isozyme II J.Med.Chem. V. 48 5721 2005.
ISSN: ISSN 0022-2623
PubMed: 16134940
DOI: 10.1021/JM050333C
Page generated: Wed Oct 16 21:12:38 2024

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