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Zinc in PDB 4k13: Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Dorzolamide

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

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

Protein crystallography data

The structure of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Dorzolamide, PDB code: 4k13 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) 30.47 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.991, 41.269, 72.484, 90.00, 103.76, 90.00
R / Rfree (%) 15.2 / 19.5

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 Dorzolamide (pdb code 4k13). 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 Dorzolamide, PDB code: 4k13:

Zinc binding site 1 out of 1 in 4k13

Go back to Zinc Binding Sites List in 4k13
Zinc binding site 1 out of 1 in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Dorzolamide


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 Dorzolamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:12.2
occ:1.00
 NE2 A:HIS94 2.0 9.5 1.0
NE2 A:HIS96 2.0 9.9 1.0
ND1 A:HIS119 2.0 9.4 1.0
N13 A:ETS304 2.0 5.0 0.7
CE1 A:HIS119 2.9 10.4 1.0
CD2 A:HIS94 3.0 12.1 1.0
CE1 A:HIS94 3.0 11.4 1.0
CD2 A:HIS96 3.0 15.1 1.0
CE1 A:HIS96 3.0 12.3 1.0
O11 A:ETS304 3.1 17.1 0.7
S10 A:ETS304 3.1 20.5 0.7
CG A:HIS119 3.1 8.4 1.0
CB A:HIS119 3.6 8.4 1.0
O A:HOH565 3.7 21.5 1.0
OG1 A:THR199 3.8 11.1 1.0
OE1 A:GLU106 3.9 11.1 1.0
NE2 A:HIS119 4.0 11.1 1.0
ND1 A:HIS94 4.1 11.2 1.0
CG A:HIS94 4.1 13.8 1.0
O12 A:ETS304 4.1 14.1 0.7
ND1 A:HIS96 4.1 8.8 1.0
CG A:HIS96 4.1 10.8 1.0
CD2 A:HIS119 4.2 13.0 1.0
C2 A:ETS304 4.3 20.7 0.7
O A:HOH444 4.7 22.6 1.0
CD A:GLU106 4.8 10.1 1.0

Reference:

S.Biswas, D.West, M.Pinard, R.Mckenna. Developing Isoform Specific Inhibitors For Hcaix Using Caix Mimic To Be Published.
Page generated: Wed Aug 20 19:20:11 2025

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