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Zinc in PDB 3bl0: Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

Enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

All present enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide 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-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 3bl0 was solved by C.Temperini, C.T.Supuran, G.M.Blackburn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.550, 42.130, 72.410, 90.00, 104.25, 90.00
R / Rfree (%) 19.9 / 24.9

Other elements in 3bl0:

The structure of Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies (pdb code 3bl0). 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. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 3bl0:

Zinc binding site 1 out of 1 in 3bl0

Go back to Zinc Binding Sites List in 3bl0
Zinc binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies


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. Interaction of 2-N,N-Dimethylamino-1,3, 4-Thiadiazole-5-Methanesulfonamide with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:9.3
occ:1.00
NE2 A:HIS94 2.0 8.8 1.0
NE2 A:HIS96 2.1 8.4 1.0
ND1 A:HIS119 2.1 5.5 1.0
NA4 A:BL0300 2.2 13.2 1.0
CD2 A:HIS94 2.9 8.4 1.0
CE1 A:HIS94 3.0 9.5 1.0
CE1 A:HIS119 3.0 6.9 1.0
CE1 A:HIS96 3.1 7.2 1.0
CD2 A:HIS96 3.1 7.6 1.0
CG A:HIS119 3.1 6.5 1.0
OA1 A:BL0300 3.2 11.9 1.0
SA2 A:BL0300 3.2 12.1 1.0
CB A:HIS119 3.5 5.5 1.0
CA5 A:BL0300 3.8 13.6 1.0
OG1 A:THR199 3.8 6.5 1.0
CG A:HIS94 4.0 8.4 1.0
OE1 A:GLU106 4.1 7.3 1.0
ND1 A:HIS94 4.1 8.7 1.0
NE2 A:HIS119 4.2 6.9 1.0
ND1 A:HIS96 4.2 7.9 1.0
CG A:HIS96 4.2 7.8 1.0
CD2 A:HIS119 4.2 6.1 1.0
OA2 A:BL0300 4.4 11.0 1.0
CA A:HIS119 4.9 6.0 1.0
CD A:GLU106 5.0 7.9 1.0

Reference:

C.Temperini, A.Cecchi, N.A.Boyle, A.Scozzafava, J.E.Cabeza, P.Wentworth, G.M.Blackburn, C.T.Supuran. Carbonic Anhydrase Inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-Thiadiazole-5-Methanesulfonamide with 12 Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies. Bioorg.Med.Chem.Lett. V. 18 999 2008.
ISSN: ISSN 0960-894X
PubMed: 18162396
DOI: 10.1016/J.BMCL.2007.12.022
Page generated: Thu Oct 24 11:32:13 2024

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