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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 / Rfree (%) 17.4 / 20.5

Other elements in 3mnu:

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 also contains other interesting chemical elements:

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

Go back to 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: Wed Oct 28 18:42:53 2020

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