Zinc in PDB 8saf: Ca II in Complex with the Coumarin Benzene Sulfonamide SG1-51

All present enzymatic activity of Ca II in Complex with the Coumarin Benzene Sulfonamide SG1-51:
4.2.1.1;

The structure of Ca II in Complex with the Coumarin Benzene Sulfonamide SG1-51, PDB code: 8saf was solved by J.E.Combs, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.96 / 1.23
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.292, 41.29, 72.003, 90, 104.43, 90
R / Rfree (%)	21.6 / 23.7

The binding sites of Zinc atom in the Ca II in Complex with the Coumarin Benzene Sulfonamide SG1-51 (pdb code 8saf). 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 Ca II in Complex with the Coumarin Benzene Sulfonamide SG1-51, PDB code: 8saf:

Zinc binding site 1 out of 1 in the Ca II in Complex with the Coumarin Benzene Sulfonamide SG1-51


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Ca II in Complex with the Coumarin Benzene Sulfonamide SG1-51 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:12.3 occ:1.00 H261 A:ZUJ302 1.1 13.8 1.0 N26 A:ZUJ302 2.0 11.5 1.0 ND1 A:HIS119 2.1 10.2 1.0 NE2 A:HIS94 2.1 12.2 1.0 NE2 A:HIS96 2.1 12.0 1.0 H262 A:ZUJ302 2.5 13.8 1.0 O24 A:ZUJ302 3.0 12.4 1.0 CE1 A:HIS119 3.0 8.3 1.0 S23 A:ZUJ302 3.0 14.4 1.0 CD2 A:HIS94 3.0 11.1 1.0 CE1 A:HIS96 3.0 14.2 1.0 CE1 A:HIS94 3.1 11.0 1.0 HE1 A:HIS119 3.1 9.9 1.0 CD2 A:HIS96 3.1 12.7 1.0 CG A:HIS119 3.2 11.5 1.0 HE1 A:HIS96 3.2 17.0 1.0 HD2 A:HIS94 3.2 13.3 1.0 HB2 A:HIS119 3.2 14.7 1.0 HD2 A:HIS96 3.3 15.2 1.0 HE1 A:HIS94 3.3 13.2 1.0 HG1 A:THR199 3.5 14.1 1.0 CB A:HIS119 3.6 12.2 1.0 O A:HOH445 3.7 21.4 1.0 HB3 A:HIS119 3.8 14.7 1.0 OG1 A:THR199 3.8 11.7 1.0 OE1 A:GLU106 4.0 12.5 1.0 O25 A:ZUJ302 4.1 13.2 1.0 NE2 A:HIS119 4.1 12.6 1.0 HH2 A:TRP209 4.2 16.1 1.0 ND1 A:HIS96 4.2 12.6 1.0 ND1 A:HIS94 4.2 11.2 1.0 C20 A:ZUJ302 4.2 14.2 1.0 CG A:HIS94 4.2 12.1 1.0 CG A:HIS96 4.2 12.3 1.0 CD2 A:HIS119 4.2 9.6 1.0 H191 A:ZUJ302 4.9 17.9 1.0 HE2 A:HIS119 4.9 15.1 1.0 CD A:GLU106 4.9 13.9 1.0 H211 A:ZUJ302 4.9 19.3 1.0 C19 A:ZUJ302 4.9 14.9 1.0 HD1 A:HIS96 5.0 15.2 1.0 C21 A:ZUJ302 5.0 16.0 1.0 HD1 A:HIS94 5.0 13.5 1.0 HG11 A:VAL143 5.0 16.6 1.0

J.E.Combs, R.Mckenna. Ca in Complex with Novel Coumarin Benzene Sulfonamides To Be Published.