Mercury in PDB 3b4f: Carbonic Anhydrase Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3- Phenyl-1H-Indole-5-Sulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

Enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3- Phenyl-1H-Indole-5-Sulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

All present enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3- Phenyl-1H-Indole-5-Sulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3- Phenyl-1H-Indole-5-Sulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 3b4f was solved by O.Guzel, C.Temperini, A.Innocenti, A.Scozzafava, A.Salman, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.89
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.000, 41.350, 72.340, 90.00, 104.35, 90.00
*R / R_free (%)*	19.6 / 23.9

Other elements in 3b4f:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3- Phenyl-1H-Indole-5-Sulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies (pdb code 3b4f). 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 Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3- Phenyl-1H-Indole-5-Sulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 3b4f:

Mercury binding site 1 out of 1 in 3b4f

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Mercury Binding Sites List in 3b4f

Mercury binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3- Phenyl-1H-Indole-5-Sulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3- Phenyl-1H-Indole-5-Sulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg263 b:34.2 occ:1.00	SG	A:CYS206	2.3	9.3	0.5
	O	A:GLN137	2.9	12.1	1.0
	O	A:GLU205	3.1	7.6	1.0
	CB	A:CYS206	3.2	7.5	0.5
	C	A:GLN137	3.3	12.0	1.0
	CB	A:CYS206	3.3	8.1	0.5
	C	A:GLU205	3.4	8.2	1.0
	CA	A:CYS206	3.5	7.6	0.5
	CA	A:CYS206	3.5	8.0	0.5
	N	A:GLN137	3.6	13.3	1.0
	N	A:CYS206	3.6	7.8	1.0
	O	A:HOH415	3.6	26.3	1.0
	O	A:VAL135	3.7	14.9	1.0
	N	A:PRO138	3.9	11.6	1.0
	C	A:GLN136	3.9	14.0	1.0
	CA	A:GLN137	4.0	12.9	1.0
	O	A:HOH422	4.0	18.1	1.0
	N	A:GLU205	4.1	8.1	1.0
	CA	A:PRO138	4.2	11.1	1.0
	C	A:VAL135	4.2	13.7	1.0
	CA	A:GLU205	4.3	8.3	1.0
	O	A:GLN136	4.4	13.4	1.0
	CA	A:GLN136	4.4	14.3	1.0
	SG	A:CYS206	4.5	6.5	0.5
	N	A:GLN136	4.6	13.8	1.0
	C	A:LEU204	4.8	8.0	1.0
	CB	A:LEU204	4.8	7.8	1.0
	CD	A:PRO138	4.9	11.9	1.0
	C	A:CYS206	4.9	7.6	1.0

Reference:

O.Guzel, C.Temperini, A.Innocenti, A.Scozzafava, A.Salman, C.T.Supuran. Carbonic Anhydrase Inhibitors. Interaction of 2-(Hydrazinocarbonyl)-3-Phenyl-1H-Indole-5-Sulfonamide with 12 Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies. Bioorg.Med.Chem.Lett. V. 18 152 2008.
ISSN: ISSN 0960-894X
PubMed: 18024029
DOI: 10.1016/J.BMCL.2007.10.110

Page generated: Sun Aug 11 03:11:27 2024

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