Zinc in PDB 6rqw: X-Ray Crystal Structure of Perdeuterated (D) Small Monoclinic Unit Cell Ca IX Sv.

All present enzymatic activity of X-Ray Crystal Structure of Perdeuterated (D) Small Monoclinic Unit Cell Ca IX Sv.:
4.2.1.1;

The structure of X-Ray Crystal Structure of Perdeuterated (D) Small Monoclinic Unit Cell Ca IX Sv., PDB code: 6rqw was solved by Z.Fisher, K.Koruza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.33 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.390, 65.090, 46.600, 90.00, 114.71, 90.00
R / Rfree (%)	17.3 / 20.3

The binding sites of Zinc atom in the X-Ray Crystal Structure of Perdeuterated (D) Small Monoclinic Unit Cell Ca IX Sv. (pdb code 6rqw). 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 X-Ray Crystal Structure of Perdeuterated (D) Small Monoclinic Unit Cell Ca IX Sv., PDB code: 6rqw:

Zinc binding site 1 out of 1 in the X-Ray Crystal Structure of Perdeuterated (D) Small Monoclinic Unit Cell Ca IX Sv.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structure of Perdeuterated (D) Small Monoclinic Unit Cell Ca IX Sv. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:20.2 occ:1.00 O A:HOH508 2.0 34.5 1.0 NE2 A:HIS226 2.1 20.3 1.0 NE2 A:HIS228 2.1 20.2 1.0 ND1 A:HIS251 2.1 18.7 1.0 O2 A:FMT402 2.3 34.2 1.0 CE1 A:HIS251 2.9 16.9 1.0 CD2 A:HIS226 3.0 20.3 1.0 CD2 A:HIS228 3.1 18.0 1.0 CE1 A:HIS228 3.1 24.9 1.0 CE1 A:HIS226 3.1 18.0 1.0 CG A:HIS251 3.2 15.8 1.0 C A:FMT402 3.5 43.4 1.0 CB A:HIS251 3.6 15.1 1.0 O1 A:FMT402 3.9 39.5 1.0 OG1 A:THR332 3.9 26.8 1.0 OE2 A:GLU238 4.0 22.8 1.0 O A:HOH664 4.1 39.1 0.5 NE2 A:HIS251 4.1 16.7 1.0 ND1 A:HIS226 4.2 18.0 1.0 CG A:HIS226 4.2 13.9 1.0 ND1 A:HIS228 4.2 22.0 1.0 CG A:HIS228 4.2 19.6 1.0 CD2 A:HIS251 4.2 16.3 1.0 CH2 A:TRP342 4.8 18.0 1.0 CD A:GLU238 4.8 25.4 1.0

K.Koruza, B.Lafumat, M.Nyblom, B.P.Mahon, W.Knecht, R.Mckenna, S.Z.Fisher. Structural Comparison of Protiated, H/D-Exchanged and Deuterated Human Carbonic Anhydrase IX. Acta Crystallogr D Struct V. 75 895 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31588921
DOI: 10.1107/S2059798319010027