Mercury in PDB 4xe1: Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin, PDB code: 4xe1 was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.80
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.212, 41.680, 71.731, 90.00, 104.33, 90.00
*R / R_free (%)*	16.8 / 21.4

Other elements in 4xe1:

The structure of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin (pdb code 4xe1). 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 Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin, PDB code: 4xe1:

Mercury binding site 1 out of 1 in 4xe1

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Mercury Binding Sites List in 4xe1

Mercury binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Human Carbonic Anhydrase II in Complex with 6-Sulfamoyl-Saccharin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg304 b:18.0 occ:1.00	HG	A:HGB304	0.0	18.0	1.0
	SG	A:CYS206	2.1	14.3	1.0
	C7	A:HGB304	2.1	18.7	1.0
	O	A:GLN137	2.9	9.5	1.0
	C6	A:HGB304	3.0	17.7	1.0
	CB	A:CYS206	3.1	12.4	1.0
	C5	A:HGB304	3.1	17.2	1.0
	O	A:GLU205	3.1	9.2	1.0
	C	A:GLN137	3.4	10.9	1.0
	C	A:GLU205	3.5	10.1	1.0
	CA	A:CYS206	3.5	10.6	1.0
	N	A:CYS206	3.7	11.3	1.0
	N	A:PRO138	3.9	9.6	1.0
	O	A:HOH548	3.9	16.9	1.0
	N	A:GLN137	4.0	12.4	1.0
	CA	A:PRO138	4.0	10.0	1.0
	CA	A:GLN137	4.2	10.5	1.0
	O	A:VAL135	4.2	15.6	1.0
	C	A:GLN136	4.3	15.6	1.0
	N	A:GLU205	4.3	7.8	1.0
	C4	A:HGB304	4.4	18.7	1.0
	C3	A:HGB304	4.4	19.1	1.0
	CA	A:GLU205	4.5	8.5	1.0
	C	A:VAL135	4.6	15.4	1.0
	O	A:GLN136	4.7	14.7	1.0
	CA	A:GLN136	4.8	16.1	1.0
	CD	A:PRO138	4.9	11.3	1.0
	C	A:PRO138	4.9	9.7	1.0
	C2	A:HGB304	4.9	19.0	1.0
	N	A:GLN136	5.0	16.0	1.0
	C	A:CYS206	5.0	10.6	1.0

Reference:

V.Alterio, M.Tanc, J.Ivanova, R.Zalubovskis, I.Vozny, S.M.Monti, A.Di Fiore, G.De Simone, C.T.Supuran. X-Ray Crystallographic and Kinetic Investigations of 6-Sulfamoyl-Saccharin As A Carbonic Anhydrase Inhibitor. Org.Biomol.Chem. 2015.
ISSN: ESSN 1477-0539
PubMed: 25733161
DOI: 10.1039/C4OB02648A

Page generated: Sun Aug 11 05:33:45 2024

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