Zinc in PDB 3oku: Human Carbonic Anhydrase II in Complex with 2-Ethylestrone-3-O- Sulfamate

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 2-Ethylestrone-3-O- Sulfamate:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with 2-Ethylestrone-3-O- Sulfamate, PDB code: 3oku was solved by K.H.Sippel, B.A.Stander, A.H.Robbins, C.K.Tu, M.Agbandje-Mckenna, D.N.Silverman, A.M.Joubert, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.13 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.168, 41.199, 71.548, 90.00, 104.12, 90.00
R / Rfree (%)	14.1 / 15.8

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with 2-Ethylestrone-3-O- Sulfamate (pdb code 3oku). 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 2-Ethylestrone-3-O- Sulfamate, PDB code: 3oku:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 2-Ethylestrone-3-O- Sulfamate


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 2-Ethylestrone-3-O- Sulfamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:11.1 occ:1.00 O A:HOH570 1.9 6.5 0.4 NAC A:VZ4263 2.0 9.4 0.6 NE2 A:HIS94 2.0 9.1 1.0 NE2 A:HIS96 2.0 9.2 1.0 ND1 A:HIS119 2.1 9.8 1.0 CE1 A:HIS119 2.9 8.7 1.0 CD2 A:HIS94 2.9 9.3 1.0 CE1 A:HIS96 3.0 11.9 1.0 CD2 A:HIS96 3.0 10.3 1.0 CE1 A:HIS94 3.0 8.9 1.0 SAZ A:VZ4263 3.1 15.6 0.6 CG A:HIS119 3.2 7.9 1.0 OAF A:VZ4263 3.2 15.4 0.6 OAP A:VZ4263 3.6 21.1 0.6 CB A:HIS119 3.6 8.0 1.0 O A:HOH572 3.7 11.7 0.4 OG1 A:THR199 3.9 10.6 1.0 OE1 A:GLU106 4.0 10.9 1.0 NE2 A:HIS119 4.1 9.6 1.0 O A:HOH329 4.1 11.9 0.4 CG A:HIS94 4.1 10.1 1.0 O A:HOH571 4.1 16.8 0.4 ND1 A:HIS94 4.1 10.3 1.0 C3 A:GOL265 4.1 25.0 0.6 ND1 A:HIS96 4.1 11.1 1.0 CG A:HIS96 4.2 10.9 1.0 CD2 A:HIS119 4.2 9.5 1.0 OAE A:VZ4263 4.3 13.3 0.6 CD A:GLU106 4.9 12.4 1.0 CAT A:VZ4263 5.0 21.0 0.6

K.H.Sippel, B.A.Stander, A.H.Robbins, C.K.Tu, M.Agbandje-Mckenna, D.N.Silverman, A.M.Joubert, R.Mckenna. Characterization of Carbonic Anhydrase Isozyme Specific Inhibition By Sulfamated 2-Ethylestra Compounds Lett.Drug Des.Discovery V. 8 2011.
ISSN: ISSN 1570-1808