Mercury in PDB 3m2y: Carbonic Anhydrase II in Complex with Novel Sulfonamide Inhibitor

Enzymatic activity of Carbonic Anhydrase II in Complex with Novel Sulfonamide Inhibitor

All present enzymatic activity of Carbonic Anhydrase II in Complex with Novel Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II in Complex with Novel Sulfonamide Inhibitor, PDB code: 3m2y was solved by J.Schulze Wischeler, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	10.00 / 1.17
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.400, 41.400, 72.200, 90.00, 104.60, 90.00
*R / R_free (%)*	12.7 / 16.1

Other elements in 3m2y:

The structure of Carbonic Anhydrase II in Complex with Novel Sulfonamide Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase II in Complex with Novel Sulfonamide Inhibitor (pdb code 3m2y). 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 in Complex with Novel Sulfonamide Inhibitor, PDB code: 3m2y:

Mercury binding site 1 out of 1 in 3m2y

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Mercury Binding Sites List in 3m2y

Mercury binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with Novel Sulfonamide Inhibitor

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 in Complex with Novel Sulfonamide Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg501 b:16.3 occ:1.00	SG	A:CYS206	1.9	23.3	1.0
	C5	A:BE7505	2.3	16.8	1.0
	O	A:HOH1171	3.0	22.2	1.0
	O	A:GLN137	3.0	9.1	1.0
	O	A:GLU205	3.0	9.5	1.0
	CB	A:CYS206	3.1	17.5	1.0
	C4	A:BE7505	3.1	16.1	1.0
	C6	A:BE7505	3.2	18.9	1.0
	C	A:GLU205	3.3	7.5	1.0
	C	A:GLN137	3.4	9.2	1.0
	CA	A:CYS206	3.4	8.3	1.0
	N	A:CYS206	3.6	7.7	1.0
	N	A:GLN137	3.7	10.3	1.0
	O	A:HOH1068	3.7	19.2	1.0
	N	A:PRO138	3.9	9.2	1.0
	CA	A:PRO138	4.1	10.1	1.0
	N	A:GLU205	4.1	9.4	1.0
	CA	A:GLN137	4.1	9.3	1.0
	O	A:VAL135	4.1	12.3	1.0
	C	A:GLN136	4.2	10.2	1.0
	CA	A:GLU205	4.3	8.2	1.0
	C3	A:BE7505	4.5	19.4	1.0
	C	A:VAL135	4.5	10.1	1.0
	C7	A:BE7505	4.5	22.7	1.0
	O	A:GLN136	4.7	12.7	1.0
	CA	A:GLN136	4.7	11.4	1.0
	C	A:LEU204	4.8	8.9	1.0
	N	A:GLN136	4.8	10.5	1.0
	CB	A:GLU205	4.9	9.0	1.0
	CB	A:LEU204	4.9	11.2	1.0
	C	A:CYS206	4.9	9.8	1.0
	CD	A:PRO138	5.0	11.8	1.0
	C	A:PRO138	5.0	9.1	1.0

Reference:

J.Schulze Wischeler, N.U.Sandner, M.Haake, C.Supuran, A.Heine, G.Klebe. Structural Investigation and Inhibitor Stuies on Carbonic Anhydrase II To Be Published.

Page generated: Sun Dec 13 19:10:09 2020

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