Mercury in PDB 1okn: Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)]

Enzymatic activity of Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)]

All present enzymatic activity of Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)]:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)], PDB code: 1okn was solved by D.Elbaum, S.K.Nair, M.W.Patchan, R.B.Thompson, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	N/A / 2.40
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.700, 41.700, 73.000, 90.00, 104.60, 90.00
*R / R_free (%)*	15.3 / 26.8

Other elements in 1okn:

The structure of Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)] also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)] (pdb code 1okn). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)], PDB code: 1okn:

Mercury binding site 1 out of 1 in 1okn

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Mercury Binding Sites List in 1okn

Mercury binding site 1 out of 1 in the Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)]

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase II Complex with the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)] within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg531 b:29.1 occ:1.00	SG	A:CYS206	2.5	21.8	1.0
	O	A:GLN137	3.0	18.1	1.0
	CB	A:CYS206	3.1	16.8	1.0
	O	A:GLU205	3.2	11.2	1.0
	O	A:HOH607	3.4	26.1	1.0
	C	A:GLN137	3.4	18.5	1.0
	C	A:GLU205	3.6	13.0	1.0
	N	A:GLN137	3.6	19.9	1.0
	CA	A:CYS206	3.7	14.6	1.0
	O	A:HOH672	3.7	25.8	1.0
	O	A:VAL135	3.7	15.3	1.0
	O	A:HOH673	3.8	11.3	1.0
	N	A:CYS206	3.8	12.8	1.0
	N	A:PRO138	4.0	14.9	1.0
	CA	A:GLN137	4.0	20.5	1.0
	C	A:VAL135	4.0	15.0	1.0
	C	A:GLN136	4.1	20.5	1.0
	N	A:GLU205	4.4	10.8	1.0
	CA	A:PRO138	4.4	15.7	1.0
	N	A:GLN136	4.4	16.4	1.0
	CA	A:GLN136	4.4	18.8	1.0
	CA	A:GLU205	4.6	10.9	1.0
	CB	A:LEU204	4.7	12.8	1.0
	O	A:GLN136	4.7	21.6	1.0
	CA	A:VAL135	4.7	12.8	1.0
	O	A:ALA134	4.8	16.2	1.0
	C	A:LEU204	4.9	12.7	1.0
	CD	A:PRO138	5.0	12.9	1.0

Reference:

D.Elbaum, S.K.Nair, M.W.Patchan, R.B.Thompson, D.W.Christianson. Structure-Based Design of A Sulfonamide Probe For Fluorescence Anisotropy Detection of Zinc with A Carbonic Anhydrase-Based Biosensor. J.Am.Chem.Soc. V. 118 8381 1996.
ISSN: ISSN 0002-7863

Page generated: Sun Dec 13 19:04:30 2020

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