Zinc in PDB 1jd0: Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide

All present enzymatic activity of Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide:
4.2.1.1;

The structure of Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide, PDB code: 1jd0 was solved by D.A.Whittington, A.Waheed, B.Ulmasov, G.N.Shah, J.H.Grubb, W.S.Sly, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	146.875, 45.080, 85.232, 90.00, 93.98, 90.00
R / Rfree (%)	19 / 20.7

The binding sites of Zinc atom in the Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide (pdb code 1jd0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide, PDB code: 1jd0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:7.6 occ:1.00 N1 A:AZM1400 2.0 9.8 1.0 NE2 A:HIS96 2.0 8.5 1.0 ND1 A:HIS119 2.0 6.5 1.0 NE2 A:HIS94 2.1 7.0 1.0 CE1 A:HIS119 2.9 6.5 1.0 CD2 A:HIS94 3.0 7.3 1.0 CD2 A:HIS96 3.0 8.5 1.0 O1 A:AZM1400 3.0 10.3 1.0 S1 A:AZM1400 3.0 9.7 1.0 CE1 A:HIS96 3.1 8.1 1.0 CE1 A:HIS94 3.1 7.3 1.0 CG A:HIS119 3.1 6.3 1.0 CB A:HIS119 3.6 5.7 1.0 OE1 A:GLU106 3.8 6.5 1.0 OG1 A:THR199 4.0 6.6 1.0 NE2 A:HIS119 4.1 6.8 1.0 CG A:HIS96 4.1 7.6 1.0 CG A:HIS94 4.1 7.4 1.0 ND1 A:HIS96 4.1 7.7 1.0 C1 A:AZM1400 4.1 8.9 1.0 O2 A:AZM1400 4.2 9.2 1.0 ND1 A:HIS94 4.2 7.3 1.0 CD2 A:HIS119 4.2 7.0 1.0 N3 A:AZM1400 4.8 11.9 1.0 CD A:GLU106 4.8 7.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Extracellular Domain of Human Carbonic Anhydrase XII Complexed with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:7.5 occ:1.00 NE2 B:HIS94 2.0 8.5 1.0 N1 B:AZM2401 2.0 8.3 1.0 ND1 B:HIS119 2.0 5.5 1.0 NE2 B:HIS96 2.1 6.9 1.0 CE1 B:HIS119 2.9 6.3 1.0 CD2 B:HIS94 3.0 8.4 1.0 CD2 B:HIS96 3.0 7.0 1.0 CE1 B:HIS94 3.0 7.7 1.0 O1 B:AZM2401 3.0 7.5 1.0 CE1 B:HIS96 3.1 7.4 1.0 S1 B:AZM2401 3.1 7.8 1.0 CG B:HIS119 3.1 5.6 1.0 CB B:HIS119 3.6 5.8 1.0 OE1 B:GLU106 3.8 7.7 1.0 OG1 B:THR199 4.0 6.1 1.0 NE2 B:HIS119 4.1 6.6 1.0 ND1 B:HIS94 4.1 7.6 1.0 CG B:HIS94 4.1 7.7 1.0 C1 B:AZM2401 4.2 8.3 1.0 ND1 B:HIS96 4.2 6.6 1.0 CG B:HIS96 4.2 6.5 1.0 O2 B:AZM2401 4.2 7.2 1.0 CD2 B:HIS119 4.2 6.1 1.0 CD B:GLU106 4.8 7.2 1.0 N3 B:AZM2401 4.8 11.2 1.0

D.A.Whittington, A.Waheed, B.Ulmasov, G.N.Shah, J.H.Grubb, W.S.Sly, D.W.Christianson. Crystal Structure of the Dimeric Extracellular Domain of Human Carbonic Anhydrase XII, A Bitopic Membrane Protein Overexpressed in Certain Cancer Tumor Cells. Proc.Natl.Acad.Sci.Usa V. 98 9545 2001.
ISSN: ISSN 0027-8424
PubMed: 11493685
DOI: 10.1073/PNAS.161301298