Zinc in PDB 4k1q: Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site)

All present enzymatic activity of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site):
4.2.1.1;

The structure of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site), PDB code: 4k1q was solved by S.Biswas, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.46 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.871, 73.038, 72.319, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.8

The binding sites of Zinc atom in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) (pdb code 4k1q). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site), PDB code: 4k1q:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:15.6 occ:1.00 O A:HOH412 2.0 14.2 1.0 ND1 A:HIS119 2.0 15.1 1.0 NE2 A:HIS94 2.0 19.0 1.0 NE2 A:HIS96 2.0 17.9 1.0 CE1 A:HIS119 2.8 16.3 1.0 CE1 A:HIS94 3.0 15.7 1.0 CE1 A:HIS96 3.0 15.5 1.0 CD2 A:HIS94 3.0 18.4 1.0 CD2 A:HIS96 3.1 15.8 1.0 CG A:HIS119 3.1 17.5 1.0 CB A:HIS119 3.6 10.5 1.0 O A:HOH462 3.6 17.5 1.0 OG1 A:THR199 3.8 16.9 1.0 NE2 A:HIS119 4.0 13.0 1.0 OE1 A:GLU106 4.0 14.6 1.0 ND1 A:HIS94 4.1 20.4 1.0 O A:HOH447 4.1 20.9 1.0 ND1 A:HIS96 4.1 14.1 1.0 CG A:HIS94 4.1 18.4 1.0 CD2 A:HIS119 4.2 15.6 1.0 CG A:HIS96 4.2 14.1 1.0 O A:HOH510 4.7 22.3 1.0 CD A:GLU106 4.9 16.4 1.0 O A:HOH586 5.0 27.0 1.0

Zinc binding site 2 out of 2 in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:19.9 occ:0.57 NE2 A:HIS64 2.1 20.0 1.0 O A:HOH599 2.1 29.2 1.0 O A:HOH614 2.4 25.2 1.0 CD2 A:HIS64 3.1 17.4 1.0 CE1 A:HIS64 3.1 21.4 1.0 ND1 A:HIS64 4.2 20.6 1.0 CG A:HIS64 4.2 21.9 1.0 O A:ASN62 4.2 19.9 1.0 CB A:ASN62 4.5 19.6 1.0 CZ2 A:TRP5 4.6 22.5 1.0 CG A:ASN62 4.6 21.4 1.0 ND2 A:ASN62 4.9 19.8 1.0

S.Biswas, D.West, M.Pinard, R.Mckenna. Developing Isoform Specific Inhibitors For Hcaix Using Caix Mimic To Be Published.