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Zinc in PDB 2q1q: Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

Enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies

All present enzymatic activity of Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame 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 the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 2q1q was solved by C.Temperini, A.Innocenti, A.Mastrolorenzo, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.190, 41.280, 72.070, 90.00, 104.29, 90.00
R / Rfree (%) 19.7 / 25.1

Other elements in 2q1q:

The structure of Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame 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 the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies (pdb code 2q1q). 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 the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies, PDB code: 2q1q:

Zinc binding site 1 out of 1 in 2q1q

Go back to Zinc Binding Sites List in 2q1q
Zinc binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame 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 the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:8.8
occ:1.00
 N1 A:OSP300 2.0 5.9 1.0
NE2 A:HIS96 2.0 5.7 1.0
NE2 A:HIS94 2.1 4.4 1.0
ND1 A:HIS119 2.1 5.2 1.0
CD2 A:HIS94 3.0 5.0 1.0
O1 A:OSP300 3.0 4.4 1.0
CD2 A:HIS96 3.0 6.4 1.0
CE1 A:HIS119 3.0 5.7 1.0
CE1 A:HIS96 3.0 7.8 1.0
S1 A:OSP300 3.0 7.9 1.0
CE1 A:HIS94 3.1 4.0 1.0
CG A:HIS119 3.2 6.5 1.0
CB A:HIS119 3.5 4.7 1.0
OG1 A:THR199 3.8 7.0 1.0
OE1 A:GLU106 3.9 5.3 1.0
C1 A:OSP300 4.0 9.4 1.0
O2 A:OSP300 4.1 6.6 1.0
CG A:HIS94 4.1 4.8 1.0
ND1 A:HIS94 4.1 4.7 1.0
ND1 A:HIS96 4.1 5.7 1.0
CG A:HIS96 4.2 5.4 1.0
NE2 A:HIS119 4.2 4.6 1.0
CD2 A:HIS119 4.3 5.5 1.0
C2 A:OSP300 4.5 9.7 1.0
C6 A:OSP300 4.9 7.8 1.0
CD A:GLU106 4.9 6.6 1.0
CH2 A:TRP209 5.0 5.2 1.0

Reference:

C.Temperini, A.Innocenti, A.Mastrolorenzo, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors. Interaction of the Antiepileptic Drug Sulthiame with Twelve Mammalian Isoforms: Kinetic and X-Ray Crystallographic Studies. Bioorg.Med.Chem.Lett. V. 17 4866 2007.
ISSN: ISSN 0960-894X
PubMed: 17588751
DOI: 10.1016/J.BMCL.2007.06.044
Page generated: Thu Oct 17 03:19:00 2024

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