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Zinc 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 / Rfree (%) 19.6 / 23.9

Other elements in 3b4f:

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 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-(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 Zinc atom.
In total only one binding site of Zinc 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:

Zinc binding site 1 out of 1 in 3b4f

Go back to Zinc Binding Sites List in 3b4f
Zinc 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 Zinc with other atoms in the Zn 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:Zn262

b:8.9
occ:1.00
NAI A:TUO300 2.0 11.9 1.0
NE2 A:HIS94 2.0 7.8 1.0
NE2 A:HIS96 2.0 4.5 1.0
ND1 A:HIS119 2.1 3.5 1.0
CD2 A:HIS94 2.9 7.7 1.0
CE1 A:HIS119 2.9 3.1 1.0
CD2 A:HIS96 3.0 4.2 1.0
CE1 A:HIS96 3.0 4.7 1.0
CE1 A:HIS94 3.1 8.6 1.0
CG A:HIS119 3.1 4.8 1.0
OAD A:TUO300 3.2 11.2 1.0
SAJ A:TUO300 3.3 13.3 1.0
CB A:HIS119 3.5 3.5 1.0
OG1 A:THR199 3.7 6.5 1.0
OAS A:TUO300 3.9 14.9 1.0
CAL A:TUO300 4.0 14.2 1.0
OE1 A:GLU106 4.0 6.2 1.0
CAK A:TUO300 4.0 14.2 1.0
CG A:HIS94 4.1 7.3 1.0
NE2 A:HIS119 4.1 3.8 1.0
ND1 A:HIS94 4.1 7.3 1.0
ND1 A:HIS96 4.1 4.1 1.0
CG A:HIS96 4.1 4.0 1.0
CD2 A:HIS119 4.2 3.4 1.0
CAG A:TUO300 4.7 13.0 1.0
CD A:GLU106 4.8 4.8 1.0
CAC A:TUO300 4.9 11.7 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: Wed Dec 16 04:08:27 2020

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