Mercury in PDB 3k2f: Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma

Enzymatic activity of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma

All present enzymatic activity of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma:
4.2.1.1;

Protein crystallography data

The structure of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma, PDB code: 3k2f was solved by C.Temperini, A.Cecchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.98
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	41.630, 42.010, 71.460, 90.00, 104.40, 90.00
*R / R_free (%)*	21.7 / 27.2

Other elements in 3k2f:

The structure of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma (pdb code 3k2f). 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 Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma, PDB code: 3k2f:

Mercury binding site 1 out of 1 in 3k2f

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Mercury Binding Sites List in 3k2f

Mercury binding site 1 out of 1 in the Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg263 b:39.2 occ:0.50	CB	A:CYS206	3.0	14.8	1.0
	O	A:VAL135	3.1	23.5	1.0
	O	A:GLN137	3.1	19.7	1.0
	C	A:GLN137	3.4	19.8	1.0
	N	A:GLN137	3.5	21.3	1.0
	O	A:GLU205	3.6	13.2	1.0
	CA	A:CYS206	3.6	14.8	1.0
	C	A:GLU205	3.7	14.5	1.0
	C	A:GLN136	3.8	22.1	1.0
	N	A:CYS206	3.8	13.9	1.0
	C	A:VAL135	3.9	22.8	1.0
	CA	A:GLN137	4.0	20.6	1.0
	N	A:PRO138	4.0	19.5	1.0
	CA	A:GLN136	4.2	22.6	1.0
	O	A:GLN136	4.3	22.3	1.0
	O	A:HOH360	4.3	37.2	1.0
	N	A:GLU205	4.3	15.7	1.0
	CA	A:PRO138	4.3	19.0	1.0
	SG	A:CYS206	4.3	19.5	1.0
	N	A:GLN136	4.4	22.5	1.0
	CB	A:LEU204	4.6	16.0	1.0
	CA	A:GLU205	4.6	14.7	1.0
	C	A:LEU204	4.8	15.7	1.0
	CA	A:VAL135	4.9	22.7	1.0

Reference:

R.M.Steele, F.Benedini, S.Biondi, V.Borghi, L.Carzaniga, F.Impagnatiello, D.Miglietta, W.K.Chong, R.Rajapakse, A.Cecchi, C.Temperini, C.T.Supuran. Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma Bioorg.Med.Chem.Lett. V. 19 6565 2009.
ISSN: ISSN 0960-894X
PubMed: 19854054
DOI: 10.1016/J.BMCL.2009.10.036

Page generated: Sun Aug 11 03:50:09 2024

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