Zinc in PDB 6rqq: X-Ray Crystal Structure of Protiated (H) Large Monoclinic Unit Cell Ca IX Sv.

All present enzymatic activity of X-Ray Crystal Structure of Protiated (H) Large Monoclinic Unit Cell Ca IX Sv.:
4.2.1.1;

The structure of X-Ray Crystal Structure of Protiated (H) Large Monoclinic Unit Cell Ca IX Sv., PDB code: 6rqq 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)	48.88 / 1.28
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.940, 65.100, 76.290, 90.00, 92.86, 90.00
R / Rfree (%)	18.1 / 19.6

The binding sites of Zinc atom in the X-Ray Crystal Structure of Protiated (H) Large Monoclinic Unit Cell Ca IX Sv. (pdb code 6rqq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Crystal Structure of Protiated (H) Large Monoclinic Unit Cell Ca IX Sv., PDB code: 6rqq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Crystal Structure of Protiated (H) Large 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 Protiated (H) Large Monoclinic Unit Cell Ca IX Sv. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:12.9 occ:1.00 O A:HOH540 2.0 19.7 1.0 NE2 A:HIS226 2.0 12.0 1.0 ND1 A:HIS251 2.1 13.5 1.0 NE2 A:HIS228 2.1 13.7 1.0 O2 A:FMT402 2.5 19.6 1.0 CE1 A:HIS251 3.0 12.8 1.0 CD2 A:HIS226 3.0 11.7 1.0 CE1 A:HIS226 3.0 12.6 1.0 CE1 A:HIS228 3.1 14.1 1.0 CD2 A:HIS228 3.1 12.6 1.0 CG A:HIS251 3.2 11.9 1.0 C A:FMT402 3.5 26.3 1.0 CB A:HIS251 3.6 12.0 1.0 O1 A:FMT402 3.6 23.9 1.0 O A:HOH768 3.7 34.3 1.0 OG1 A:THR332 3.9 17.8 1.0 OE2 A:GLU238 4.1 15.6 1.0 NE2 A:HIS251 4.1 12.1 1.0 ND1 A:HIS226 4.1 11.9 1.0 CG A:HIS226 4.2 11.7 1.0 ND1 A:HIS228 4.2 14.1 1.0 CD2 A:HIS251 4.2 11.8 1.0 CG A:HIS228 4.3 12.7 1.0 O A:HOH511 4.8 17.4 0.5 CH2 A:TRP342 4.9 14.0 1.0 CD A:GLU238 4.9 15.9 1.0

Zinc binding site 2 out of 2 in the X-Ray Crystal Structure of Protiated (H) Large 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 2 of X-Ray Crystal Structure of Protiated (H) Large Monoclinic Unit Cell Ca IX Sv. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn401 b:12.8 occ:1.00 O C:HOH528 2.0 20.9 1.0 NE2 C:HIS226 2.0 12.1 1.0 ND1 C:HIS251 2.1 11.7 1.0 NE2 C:HIS228 2.2 13.8 1.0 O2 C:FMT402 2.4 19.4 1.0 CE1 C:HIS251 3.0 12.3 1.0 CD2 C:HIS226 3.0 12.3 1.0 CE1 C:HIS226 3.0 13.0 1.0 CE1 C:HIS228 3.1 14.3 1.0 CG C:HIS251 3.2 11.7 1.0 CD2 C:HIS228 3.2 12.6 1.0 C C:FMT402 3.5 25.0 1.0 CB C:HIS251 3.6 11.8 1.0 O1 C:FMT402 3.7 24.4 1.0 O C:HOH756 3.8 31.2 1.0 OG1 C:THR332 3.9 17.5 1.0 OE2 C:GLU238 4.1 15.5 1.0 NE2 C:HIS251 4.1 11.6 1.0 ND1 C:HIS226 4.1 12.3 1.0 CG C:HIS226 4.2 11.1 1.0 CD2 C:HIS251 4.2 12.7 1.0 ND1 C:HIS228 4.2 13.7 1.0 CG C:HIS228 4.3 12.8 1.0 O C:HOH508 4.5 18.5 0.5 CH2 C:TRP342 4.9 13.8 1.0 CD C:GLU238 4.9 15.7 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