Zinc in PDB 3hkq: Human Carbonic Anhydrase II in Complex with 1-S-D- Galactopyranosylsulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 1-S-D- Galactopyranosylsulfonamide:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with 1-S-D- Galactopyranosylsulfonamide, PDB code: 3hkq was solved by B.Paul, S.-A.Poulsen, A.Hofmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.90 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.480, 41.700, 72.540, 90.00, 104.48, 90.00
R / Rfree (%)	20 / 22.1

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with 1-S-D- Galactopyranosylsulfonamide (pdb code 3hkq). 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 1-S-D- Galactopyranosylsulfonamide, PDB code: 3hkq:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 1-S-D- Galactopyranosylsulfonamide


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 1-S-D- Galactopyranosylsulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn261 b:13.3 occ:1.00 ND1 A:HIS119 2.1 13.8 1.0 NE2 A:HIS96 2.1 14.4 1.0 NE2 A:HIS94 2.1 15.7 1.0 NAJ A:1SD300 2.1 21.0 1.0 CD2 A:HIS96 3.0 13.8 1.0 CE1 A:HIS119 3.0 12.1 1.0 CD2 A:HIS94 3.0 15.9 1.0 OAE A:1SD300 3.1 26.7 1.0 CE1 A:HIS94 3.1 14.6 1.0 CG A:HIS119 3.2 9.7 1.0 CE1 A:HIS96 3.2 14.1 1.0 SAI A:1SD300 3.2 27.4 1.0 CB A:HIS119 3.6 13.4 1.0 O2 A:1SD300 3.6 30.4 1.0 OG1 A:THR198 3.9 15.2 1.0 OE1 A:GLU106 4.0 15.5 1.0 NE2 A:HIS119 4.1 12.4 1.0 C2 A:1SD300 4.1 34.8 1.0 CG A:HIS96 4.2 11.8 1.0 CG A:HIS94 4.2 13.1 1.0 ND1 A:HIS94 4.2 13.9 1.0 ND1 A:HIS96 4.2 14.4 1.0 CD2 A:HIS119 4.2 12.2 1.0 OAM A:1SD300 4.3 25.5 1.0 C1 A:1SD300 4.4 30.5 1.0 O A:HOH348 4.6 20.0 1.0 CD A:GLU106 4.9 18.7 1.0

M.Lopez, B.Paul, A.Hofmann, J.Morizzi, Q.K.Wu, S.A.Charman, A.Innocenti, D.Vullo, C.T.Supuran, S.A.Poulsen. S-Glycosyl Primary Sulfonamides--A New Structural Class For Selective Inhibition of Cancer-Associated Carbonic Anhydrases. J.Med.Chem. V. 52 6421 2009.
ISSN: ISSN 0022-2623
PubMed: 19827837
DOI: 10.1021/JM900914E