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Zinc in PDB 3k2f: Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma

Enzymatic activity of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma

All present enzymatic activity of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma:
4.2.1.1;

Protein crystallography data

The structure of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma, PDB code: 3k2f was solved by C.Temperini, A.Cecchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.630, 42.010, 71.460, 90.00, 104.40, 90.00
R / Rfree (%) 21.7 / 27.2

Other elements in 3k2f:

The structure of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma (pdb code 3k2f). 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 Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma, PDB code: 3k2f:

Zinc binding site 1 out of 1 in 3k2f

Go back to Zinc Binding Sites List in 3k2f
Zinc binding site 1 out of 1 in the Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:16.1
occ:1.00
 NAJ A:NKX264 1.9 18.6 1.0
ND1 A:HIS119 2.0 13.0 1.0
NE2 A:HIS94 2.0 11.0 1.0
NE2 A:HIS96 2.1 11.4 1.0
CE1 A:HIS119 2.9 12.1 1.0
CD2 A:HIS94 2.9 13.0 1.0
SAI A:NKX264 3.0 17.3 1.0
CE1 A:HIS96 3.0 14.6 1.0
CD2 A:HIS96 3.1 14.4 1.0
CG A:HIS119 3.1 10.9 1.0
CE1 A:HIS94 3.1 13.2 1.0
OAL A:NKX264 3.1 14.7 1.0
CB A:HIS119 3.6 9.8 1.0
OG1 A:THR199 3.8 14.1 1.0
OE1 A:GLU106 3.9 11.1 1.0
CAH A:NKX264 4.0 18.8 1.0
NE2 A:HIS119 4.0 9.9 1.0
CG A:HIS94 4.1 14.1 1.0
ND1 A:HIS94 4.2 13.0 1.0
CD2 A:HIS119 4.2 13.2 1.0
ND1 A:HIS96 4.2 11.6 1.0
OAC A:NKX264 4.2 17.0 1.0
CG A:HIS96 4.2 13.1 1.0
CAP A:NKX264 4.5 19.6 1.0
CD A:GLU106 4.9 12.0 1.0
CA A:HIS119 5.0 10.1 1.0

Reference:

R.M.Steele, F.Benedini, S.Biondi, V.Borghi, L.Carzaniga, F.Impagnatiello, D.Miglietta, W.K.Chong, R.Rajapakse, A.Cecchi, C.Temperini, C.T.Supuran. Nitric Oxide-Donating Carbonic Anhydrase Inhibitors For the Treatment of Open-Angle Glaucoma Bioorg.Med.Chem.Lett. V. 19 6565 2009.
ISSN: ISSN 0960-894X
PubMed: 19854054
DOI: 10.1016/J.BMCL.2009.10.036
Page generated: Sat Oct 26 07:37:07 2024

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