Mercury in PDB 2hnc: Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor.

Enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor.

All present enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor.:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor., PDB code: 2hnc was solved by V.Menchise, A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.55
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.110, 41.310, 71.890, 90.00, 104.35, 90.00
*R / R_free (%)*	19.4 / 21.5

Other elements in 2hnc:

The structure of Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor. also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor. (pdb code 2hnc). 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 Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor., PDB code: 2hnc:

Mercury binding site 1 out of 1 in 2hnc

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Mercury Binding Sites List in 2hnc

Mercury binding site 1 out of 1 in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor.

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of the Human Carbonic Anhydrase II in Complex with the 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide Inhibitor. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg262 b:16.0 occ:1.00	HG	A:MBO262	0.0	16.0	1.0
	CE1	A:MBO262	2.0	18.6	1.0
	SG	A:CYS206	2.1	12.1	1.0
	CE2	A:MBO262	3.0	19.0	1.0
	O	A:HOH542	3.0	21.4	1.0
	O	A:GLN137	3.0	11.5	1.0
	CE6	A:MBO262	3.0	19.7	1.0
	O	A:GLU205	3.1	8.8	1.0
	CB	A:CYS206	3.2	13.5	1.0
	C	A:GLN137	3.4	10.6	1.0
	C	A:GLU205	3.4	7.9	1.0
	CA	A:CYS206	3.6	9.4	1.0
	O	A:HOH410	3.7	15.3	1.0
	N	A:CYS206	3.7	9.2	1.0
	N	A:GLN137	3.9	11.6	1.0
	N	A:PRO138	3.9	11.0	1.0
	CA	A:PRO138	4.1	11.1	1.0
	CA	A:GLN137	4.2	9.5	1.0
	O	A:VAL135	4.2	15.7	1.0
	C	A:GLN136	4.3	13.7	1.0
	N	A:GLU205	4.3	8.1	1.0
	CE3	A:MBO262	4.3	21.5	1.0
	CE5	A:MBO262	4.4	20.9	1.0
	CA	A:GLU205	4.4	7.6	1.0
	C	A:VAL135	4.5	13.2	1.0
	O	A:HOH535	4.6	26.4	1.0
	CA	A:GLN136	4.7	14.8	1.0
	N	A:GLN136	4.7	13.8	1.0
	O	A:GLN136	4.8	14.3	1.0
	CE4	A:MBO262	4.9	21.5	1.0
	C	A:PRO138	5.0	9.8	1.0
	CD	A:PRO138	5.0	12.6	1.0
	C	A:LEU204	5.0	8.5	1.0

Reference:

V.Menchise, G.De Simone, A.Di Fiore, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors: X-Ray Crystallographic Studies For the Binding of 5-Amino-1,3,4-Thiadiazole-2-Sulfonamide and 5-(4-Amino-3-Chloro-5-Fluorophenylsulfonamido)-1,3,4- Thiadiazole-2-Sulfonamide to Human Isoform II. Bioorg.Med.Chem.Lett. V. 16 6204 2006.
ISSN: ISSN 0960-894X
PubMed: 17000110
DOI: 10.1016/J.BMCL.2006.09.022

Page generated: Sun Aug 11 02:36:58 2024

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