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Zinc in PDB 3ieo: The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example

Enzymatic activity of The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example

All present enzymatic activity of The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example:
4.2.1.1;

Protein crystallography data

The structure of The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example, PDB code: 3ieo was solved by C.Temperini, A.Innocenti, A.Scozzafava, S.Parkkila, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 11.88 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.190, 41.550, 72.230, 90.00, 104.56, 90.00
R / Rfree (%) 25.5 / 29.2

Other elements in 3ieo:

The structure of The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example also contains other interesting chemical elements:

Mercury (Hg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example (pdb code 3ieo). 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 The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example, PDB code: 3ieo:

Zinc binding site 1 out of 1 in 3ieo

Go back to Zinc Binding Sites List in 3ieo
Zinc binding site 1 out of 1 in the The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Coumarin-Binding Site in Carbonic Anhydrase: the Antiepileptic Lacosamide As An Example within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:6.8
occ:1.00
 NE2 A:HIS96 1.9 7.4 1.0
NE2 A:HIS94 2.1 2.0 1.0
ND1 A:HIS119 2.1 2.0 1.0
O A:HOH297 2.5 5.7 1.0
CE1 A:HIS96 2.9 6.1 1.0
CD2 A:HIS94 2.9 3.2 1.0
CE1 A:HIS119 2.9 2.0 1.0
CD2 A:HIS96 3.0 6.5 1.0
CG A:HIS119 3.1 2.1 1.0
CE1 A:HIS94 3.1 2.0 1.0
CB A:HIS119 3.6 2.1 1.0
OG1 A:THR199 3.6 5.2 1.0
ND1 A:HIS96 4.0 3.3 1.0
NE2 A:HIS119 4.0 2.0 1.0
CG A:HIS96 4.1 3.9 1.0
CG A:HIS94 4.1 2.0 1.0
CD2 A:HIS119 4.2 2.0 1.0
ND1 A:HIS94 4.2 2.4 1.0
OE1 A:GLU106 4.3 7.8 1.0
O A:HOH369 4.7 15.9 1.0
O A:HOH350 4.9 15.5 1.0

Reference:

C.Temperini, A.Innocenti, A.Scozzafava, S.Parkkila, C.T.Supuran. The Coumarin-Binding Site in Carbonic Anhydrase Accommodates Structurally Diverse Inhibitors: the Antiepileptic Lacosamide As An Example and Lead Molecule For Novel Classes of Carbonic Anhydrase Inhibitors J.Med.Chem. V. 53 850 2010.
ISSN: ISSN 0022-2623
PubMed: 20028100
DOI: 10.1021/JM901524F
Page generated: Sat Oct 26 07:00:58 2024

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