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Zinc in PDB 4k0t: Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Chlorzolamide

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

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

Protein crystallography data

The structure of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Chlorzolamide, PDB code: 4k0t 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) 35.40 / 1.78
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.886, 41.080, 71.794, 90.00, 103.75, 90.00
R / Rfree (%) 15.3 / 19.7

Other elements in 4k0t:

The structure of Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Chlorzolamide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

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 Chlorzolamide (pdb code 4k0t). 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 Chlorzolamide, PDB code: 4k0t:

Zinc binding site 1 out of 1 in 4k0t

Go back to Zinc Binding Sites List in 4k0t
Zinc binding site 1 out of 1 in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Chlorzolamide


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

b:7.4
occ:1.00
 N3 A:D9Z303 2.0 6.7 1.0
NE2 A:HIS94 2.0 6.6 1.0
NE2 A:HIS96 2.0 4.9 1.0
ND1 A:HIS119 2.0 5.0 1.0
CE1 A:HIS119 2.9 7.2 1.0
CD2 A:HIS94 2.9 5.0 1.0
CD2 A:HIS96 2.9 6.3 1.0
CE1 A:HIS94 3.0 8.8 1.0
CE1 A:HIS96 3.0 8.5 1.0
S1 A:D9Z303 3.1 5.7 1.0
CG A:HIS119 3.1 5.1 1.0
O2 A:D9Z303 3.2 7.2 1.0
CB A:HIS119 3.6 3.9 1.0
O A:HOH447 3.8 10.2 1.0
OG1 A:THR199 3.9 6.0 1.0
OE1 A:GLU106 3.9 4.7 1.0
NE2 A:HIS119 4.1 4.4 1.0
ND1 A:HIS94 4.1 6.8 1.0
CG A:HIS94 4.1 6.3 1.0
ND1 A:HIS96 4.1 5.0 1.0
CG A:HIS96 4.1 3.8 1.0
O1 A:D9Z303 4.1 5.7 1.0
CD2 A:HIS119 4.2 7.0 1.0
C8 A:D9Z303 4.3 4.9 1.0
O A:HOH461 4.6 16.6 1.0
CD A:GLU106 4.8 8.4 1.0

Reference:

S.Biswas, D.West, M.Pinard, R.Mckenna. Designing Isoform Specific Inhibitors Against Hcaix Using Caix Mimic To Be Published.
Page generated: Wed Dec 16 05:27:23 2020

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