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Zinc in PDB 3efi: Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv

Enzymatic activity of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv

All present enzymatic activity of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv, PDB code: 3efi was solved by C.Temperini, A.Innocenti, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.38 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.070, 41.320, 72.050, 90.00, 104.40, 90.00
R / Rfree (%) 18.9 / 22.2

Other elements in 3efi:

The structure of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv (pdb code 3efi). 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 Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv, PDB code: 3efi:

Zinc binding site 1 out of 1 in 3efi

Go back to Zinc Binding Sites List in 3efi
Zinc binding site 1 out of 1 in the Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:8.0
occ:1.00
 NE2 A:HIS96 2.0 3.8 1.0
NE2 A:HIS94 2.0 8.2 1.0
ND1 A:HIS119 2.1 3.5 1.0
O A:HOH322 2.3 12.1 1.0
CD2 A:HIS96 3.0 6.0 1.0
CD2 A:HIS94 3.0 5.7 1.0
CE1 A:HIS119 3.0 3.2 1.0
CE1 A:HIS96 3.0 6.0 1.0
CE1 A:HIS94 3.1 7.1 1.0
CG A:HIS119 3.1 4.5 1.0
CB A:HIS119 3.5 4.0 1.0
OG1 A:THR199 3.7 6.1 1.0
O A:HOH406 3.9 17.3 1.0
OE1 A:GLU106 4.0 5.7 1.0
CG A:HIS96 4.1 4.7 1.0
ND1 A:HIS96 4.1 5.9 1.0
CG A:HIS94 4.1 6.8 1.0
NE2 A:HIS119 4.1 2.5 1.0
ND1 A:HIS94 4.1 6.1 1.0
CD2 A:HIS119 4.2 4.2 1.0
O A:HOH418 4.6 21.1 1.0
O A:HOH437 4.8 30.2 1.0
CD A:GLU106 4.9 4.6 1.0
CB A:THR199 5.0 5.3 1.0

Reference:

C.Temperini, A.Innocenti, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv Bioorg.Med.Chem. V. 16 8373 2008.
ISSN: ISSN 0968-0896
PubMed: 18774300
DOI: 10.1016/J.BMC.2008.08.043
Page generated: Wed Dec 16 04:15:49 2020

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