Mercury in PDB 3mnu: Carbonic Anhydrase Inhibitors: Crystallographic and Solution Binding Studies For the Interaction of A Boron Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv

Enzymatic activity of Carbonic Anhydrase Inhibitors: Crystallographic and Solution Binding Studies For the Interaction of A Boron Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv

All present enzymatic activity of Carbonic Anhydrase Inhibitors: Crystallographic and Solution Binding Studies For the Interaction of A Boron Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Inhibitors: Crystallographic and Solution Binding Studies For the Interaction of A Boron Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv, PDB code: 3mnu was solved by 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 / 1.80
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.080, 41.330, 71.880, 90.00, 104.45, 90.00
*R / R_free (%)*	17.4 / 20.5

Other elements in 3mnu:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase Inhibitors: Crystallographic and Solution Binding Studies For the Interaction of A Boron Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv (pdb code 3mnu). 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: Crystallographic and Solution Binding Studies For the Interaction of A Boron Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv, PDB code: 3mnu:

Mercury binding site 1 out of 1 in 3mnu

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Mercury Binding Sites List in 3mnu

Mercury binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors: Crystallographic and Solution Binding Studies For the Interaction of A Boron Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv

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: Crystallographic and Solution Binding Studies For the Interaction of A Boron Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg263 b:24.1 occ:0.70	HG	A:MBO263	0.0	24.1	0.7
	CE1	A:MBO263	2.0	25.8	0.7
	SG	A:CYS206	2.3	24.9	1.0
	O	A:GLN137	2.9	14.7	1.0
	CE6	A:MBO263	3.0	26.2	0.7
	CE2	A:MBO263	3.0	25.4	0.7
	O	A:HOH494	3.1	30.8	1.0
	CB	A:CYS206	3.1	18.2	1.0
	O	A:GLU205	3.2	13.8	1.0
	C	A:GLN137	3.3	16.9	1.0
	C	A:GLU205	3.5	13.7	1.0
	CA	A:CYS206	3.5	15.8	1.0
	N	A:CYS206	3.6	14.5	1.0
	N	A:GLN137	3.8	19.9	1.0
	O	A:HOH391	3.8	19.5	1.0
	N	A:PRO138	3.9	16.5	1.0
	O	A:VAL135	3.9	22.1	1.0
	C	A:GLN136	4.0	21.3	1.0
	CA	A:GLN137	4.1	16.7	1.0
	CA	A:PRO138	4.1	15.9	1.0
	N	A:GLU205	4.3	14.2	1.0
	C	A:VAL135	4.3	21.0	1.0
	CE5	A:MBO263	4.3	25.9	0.7
	CE3	A:MBO263	4.3	27.0	0.7
	CA	A:GLU205	4.4	13.0	1.0
	CA	A:GLN136	4.5	21.7	1.0
	O	A:GLN136	4.5	21.9	1.0
	O	A:HOH577	4.6	41.0	1.0
	N	A:GLN136	4.6	21.0	1.0
	O	A:HOH484	4.8	28.6	1.0
	CE4	A:MBO263	4.9	25.8	0.7
	CB	A:LEU204	5.0	15.4	1.0
	C	A:LEU204	5.0	14.6	1.0
	C	A:CYS206	5.0	15.1	1.0
	C	A:PRO138	5.0	14.7	1.0
	CD	A:PRO138	5.0	18.0	1.0

Reference:

A.Di Fiore, S.M.Monti, A.Innocenti, J.Y.Winum, G.De Simone, C.T.Supuran. Carbonic Anhydrase Inhibitors: Crystallographic and Solution Binding Studies For the Interaction of A Boron-Containing Aromatic Sulfamide with Mammalian Isoforms I-Xv. Bioorg.Med.Chem.Lett. V. 20 3601 2010.
ISSN: ISSN 0960-894X
PubMed: 20472429
DOI: 10.1016/J.BMCL.2010.04.114

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

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