Chlorine 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 / R_free (%)*	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:

Zinc

(Zn)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Hcaix Mimic (Hcaii with 5 Mutations in Active Site) in Complex with Chlorzolamide, PDB code: 4k0t:

Chlorine binding site 1 out of 1 in 4k0t

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Chlorine Binding Sites List in 4k0t

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl303 b:22.4 occ:1.00	CL1	A:D9Z303	0.0	22.4	1.0
	C2	A:D9Z303	1.7	25.6	1.0
	C1	A:D9Z303	2.7	15.2	1.0
	C3	A:D9Z303	2.7	30.1	1.0
	C7	A:D9Z303	3.1	10.2	1.0
	S2	A:D9Z303	3.1	9.1	1.0
	CG1	A:VAL121	3.8	5.9	1.0
	CD2	A:LEU131	4.0	29.1	1.0
	C6	A:D9Z303	4.0	17.3	1.0
	C4	A:D9Z303	4.0	29.3	1.0
	NE2	A:GLN92	4.1	13.3	1.0
	CD1	A:LEU131	4.3	10.0	1.0
	CD1	A:LEU141	4.4	11.5	1.0
	N1	A:D9Z303	4.4	5.9	1.0
	C5	A:D9Z303	4.5	23.3	1.0
	C8	A:D9Z303	4.7	4.9	1.0
	CG	A:LEU131	4.7	11.5	1.0
	CB	A:VAL121	4.7	7.6	1.0
	CG2	A:VAL121	4.8	7.8	1.0
	CD2	A:LEU198	4.8	5.5	1.0
	CD	A:GLN92	5.0	11.9	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: Sat Dec 12 10:49:24 2020

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