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Zinc 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:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc 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:

Zinc binding site 1 out of 1 in 3mnu

Go back to Zinc Binding Sites List in 3mnu
Zinc 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 Zinc with other atoms in the Zn 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:Zn262

b:14.8
occ:1.00
NE2 A:HIS96 2.0 11.8 1.0
N1 A:BON265 2.0 17.0 1.0
ND1 A:HIS119 2.1 11.2 1.0
NE2 A:HIS94 2.1 14.3 1.0
CD2 A:HIS96 2.9 10.2 1.0
CE1 A:HIS119 2.9 11.2 1.0
CD2 A:HIS94 3.0 12.9 1.0
O1 A:BON265 3.1 18.8 1.0
CE1 A:HIS96 3.1 11.7 1.0
S1 A:BON265 3.1 19.2 1.0
CG A:HIS119 3.1 13.1 1.0
CE1 A:HIS94 3.2 15.0 1.0
CB A:HIS119 3.6 10.7 1.0
OG1 A:THR199 3.9 13.1 1.0
OE1 A:GLU106 4.0 11.8 1.0
N2 A:BON265 4.0 18.9 1.0
CG A:HIS96 4.1 11.1 1.0
NE2 A:HIS119 4.1 10.1 1.0
ND1 A:HIS96 4.1 11.6 1.0
CG A:HIS94 4.2 12.8 1.0
CD2 A:HIS119 4.2 12.1 1.0
O2 A:BON265 4.2 19.4 1.0
ND1 A:HIS94 4.2 12.1 1.0
C3 A:GOL264 4.4 23.9 1.0
CD A:GLU106 4.9 10.2 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 Dec 16 04:35:48 2020

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