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Zinc in PDB 4k0s: Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Acetazolamide

Enzymatic activity of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Acetazolamide

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

Protein crystallography data

The structure of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Acetazolamide, PDB code: 4k0s 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) 29.11 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.124, 41.463, 72.669, 90.00, 103.89, 90.00
R / Rfree (%) 16.7 / 21.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Acetazolamide (pdb code 4k0s). 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 Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Acetazolamide, PDB code: 4k0s:

Zinc binding site 1 out of 1 in 4k0s

Go back to Zinc Binding Sites List in 4k0s
Zinc binding site 1 out of 1 in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Acetazolamide


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) in Complex with Acetazolamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:12.4
occ:0.93
 NE2 A:HIS94 2.0 13.9 1.0
NE2 A:HIS96 2.0 10.4 1.0
ND1 A:HIS119 2.0 8.6 1.0
N1 A:AZM302 2.1 10.6 1.0
CD2 A:HIS94 2.9 12.1 1.0
O2 A:AZM302 2.9 20.1 1.0
CE1 A:HIS119 3.0 10.9 1.0
CD2 A:HIS96 3.0 13.2 1.0
CE1 A:HIS96 3.0 12.2 1.0
S1 A:AZM302 3.0 20.0 1.0
CE1 A:HIS94 3.1 17.0 1.0
CG A:HIS119 3.1 13.3 1.0
CB A:HIS119 3.5 10.7 1.0
O A:HOH431 3.8 16.6 1.0
OG1 A:THR199 3.9 11.2 1.0
OE1 A:GLU106 3.9 12.1 1.0
CG A:HIS94 4.1 12.6 1.0
O1 A:AZM302 4.1 15.5 1.0
NE2 A:HIS119 4.1 12.5 1.0
ND1 A:HIS94 4.1 14.5 1.0
ND1 A:HIS96 4.1 9.1 1.0
CG A:HIS96 4.2 12.1 1.0
CD2 A:HIS119 4.2 14.1 1.0
C1 A:AZM302 4.3 24.4 1.0
CD A:GLU106 4.9 14.2 1.0
CA A:HIS119 5.0 10.2 1.0

Reference:

S.Biswas, D.West, M.Pinard, R.Mckenna. Developing Isoform Specific Inhibitors Against Hcaix Using Caix Mimic To Be Published.
Page generated: Wed Aug 20 19:19:57 2025

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