Zinc in PDB 3ryv: Carbonic Anhydrase Complexed with N-Ethyl-4-Sulfamoylbenzamide

All present enzymatic activity of Carbonic Anhydrase Complexed with N-Ethyl-4-Sulfamoylbenzamide:
4.2.1.1;

The structure of Carbonic Anhydrase Complexed with N-Ethyl-4-Sulfamoylbenzamide, PDB code: 3ryv was solved by P.W.Snyder, S.Bai, A.Heroux, G.W.Whitesides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.72 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.390, 41.440, 72.060, 90.00, 104.70, 90.00
R / Rfree (%)	13.3 / 16.8

The binding sites of Zinc atom in the Carbonic Anhydrase Complexed with N-Ethyl-4-Sulfamoylbenzamide (pdb code 3ryv). 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 Complexed with N-Ethyl-4-Sulfamoylbenzamide, PDB code: 3ryv:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase Complexed with N-Ethyl-4-Sulfamoylbenzamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase Complexed with N-Ethyl-4-Sulfamoylbenzamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn262 b:5.8 occ:1.00 N3S B:RYV1 2.0 7.0 1.0 NE2 B:HIS94 2.0 6.0 1.0 ND1 B:HIS119 2.0 5.7 1.0 NE2 B:HIS96 2.0 6.1 1.0 CE1 B:HIS119 2.9 5.8 1.0 CD2 B:HIS96 3.0 7.3 1.0 CE1 B:HIS94 3.0 5.7 1.0 O1S B:RYV1 3.0 6.2 1.0 S B:RYV1 3.0 6.1 1.0 CD2 B:HIS94 3.0 6.1 1.0 CE1 B:HIS96 3.1 7.3 1.0 CG B:HIS119 3.1 5.6 1.0 CB B:HIS119 3.6 6.1 1.0 O B:HOH264 3.7 7.9 1.0 OG1 B:THR199 3.9 6.0 1.0 OE1 B:GLU106 3.9 6.4 1.0 O2S B:RYV1 4.1 6.7 1.0 NE2 B:HIS119 4.1 5.8 1.0 ND1 B:HIS94 4.1 6.5 1.0 CG B:HIS94 4.2 6.8 1.0 ND1 B:HIS96 4.2 7.0 1.0 C4 B:RYV1 4.2 7.5 1.0 CG B:HIS96 4.2 5.9 1.0 CD2 B:HIS119 4.2 5.9 1.0 CD B:GLU106 4.9 6.7 1.0 C6 B:RYV1 4.9 6.9 1.0 O B:HOH344 4.9 19.1 1.0 C2 B:RYV1 5.0 7.7 1.0

J.Mecinovic, P.W.Snyder, K.A.Mirica, S.Bai, E.T.Mack, R.L.Kwant, D.T.Moustakas, A.Heroux, G.M.Whitesides. Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the "Hydrophobic Wall" of Carbonic Anhydrase. J.Am.Chem.Soc. V. 133 14017 2011.
ISSN: ISSN 0002-7863
PubMed: 21790183
DOI: 10.1021/JA2045293