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Zinc in PDB 5fdi: Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog.

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog.

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog.:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog., PDB code: 5fdi was solved by A.Di Fiore, G.De Simone, V.Alterio, V.Riccio, J.-Y.Winum, F.Carta, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.006, 41.282, 71.981, 90.00, 104.16, 90.00
R / Rfree (%) 16.2 / 19.3

Other elements in 5fdi:

The structure of Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog. also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog. (pdb code 5fdi). 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 Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog., PDB code: 5fdi:

Zinc binding site 1 out of 1 in 5fdi

Go back to Zinc Binding Sites List in 5fdi
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Carbonic Anhydrase II with the Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:10.7
occ:1.00
 NE2 A:HIS94 1.9 7.1 1.0
N1 A:5WM302 2.0 16.6 1.0
NE2 A:HIS96 2.0 6.8 1.0
ND1 A:HIS119 2.1 7.8 1.0
CD2 A:HIS94 2.9 8.4 1.0
CD2 A:HIS96 3.0 6.5 1.0
CE1 A:HIS119 3.0 7.8 1.0
O1 A:5WM302 3.0 18.6 1.0
CE1 A:HIS94 3.0 7.9 1.0
S1 A:5WM302 3.0 18.7 1.0
CE1 A:HIS96 3.1 9.9 1.0
CG A:HIS119 3.1 6.2 1.0
CB A:HIS119 3.5 4.3 1.0
OG1 A:THR199 3.8 7.8 1.0
N2 A:5WM302 3.9 26.2 1.0
OE1 A:GLU106 4.0 8.8 1.0
CG A:HIS94 4.1 7.8 1.0
ND1 A:HIS94 4.1 7.2 1.0
NE2 A:HIS119 4.1 8.8 1.0
CG A:HIS96 4.1 5.5 1.0
ND1 A:HIS96 4.2 7.0 1.0
O2 A:5WM302 4.2 20.8 1.0
CD2 A:HIS119 4.2 7.3 1.0
O A:HOH614 4.6 39.1 1.0
C1 A:5WM302 4.9 34.7 1.0
CD A:GLU106 4.9 8.3 1.0

Reference:

A.Di Fiore, G.De Simone, V.Alterio, V.Riccio, J.Y.Winum, F.Carta, C.T.Supuran. The Anticonvulsant Sulfamide Jnj-26990990 and Its S,S-Dioxide Analog Strongly Inhibit Carbonic Anhydrases: Solution and X-Ray Crystallographic Studies. Org.Biomol.Chem. V. 14 4853 2016.
ISSN: ESSN 1477-0539
PubMed: 27151329
DOI: 10.1039/C6OB00803H
Page generated: Sun Oct 27 16:04:42 2024

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