Zinc in PDB 7ntb: Crystal Structure of Human Carbonic Anhydrase with A Benzophenone- Derivative

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase with A Benzophenone- Derivative

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase with A Benzophenone- Derivative:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase with A Benzophenone- Derivative, PDB code: 7ntb was solved by A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.14, 41.31, 72.1, 90, 104.39, 90
R / Rfree (%) 17.3 / 21.7

Other elements in 7ntb:

The structure of Crystal Structure of Human Carbonic Anhydrase with A Benzophenone- Derivative 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 with A Benzophenone- Derivative (pdb code 7ntb). 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 with A Benzophenone- Derivative, PDB code: 7ntb:

Zinc binding site 1 out of 1 in 7ntb

Go back to Zinc Binding Sites List in 7ntb
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase with A Benzophenone- Derivative


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 with A Benzophenone- Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.1
occ:1.00
 N1 A:URH302 2.0 5.8 1.0
ND1 A:HIS119 2.0 3.1 1.0
NE2 A:HIS96 2.0 3.0 1.0
NE2 A:HIS94 2.1 3.6 1.0
CE1 A:HIS119 2.9 3.5 1.0
CD2 A:HIS96 2.9 5.7 1.0
CD2 A:HIS94 3.0 4.4 1.0
O1 A:URH302 3.0 4.4 1.0
CE1 A:HIS94 3.1 3.9 1.0
S1 A:URH302 3.1 4.7 1.0
CE1 A:HIS96 3.1 3.7 1.0
CG A:HIS119 3.1 2.2 1.0
CB A:HIS119 3.6 1.8 1.0
O A:HOH598 3.6 16.9 1.0
OG1 A:THR199 3.8 4.8 1.0
OE1 A:GLU106 4.0 4.6 1.0
NE2 A:HIS119 4.0 2.1 1.0
CG A:HIS96 4.1 4.1 1.0
O2 A:URH302 4.1 4.3 1.0
CG A:HIS94 4.2 4.0 1.0
ND1 A:HIS94 4.2 4.0 1.0
ND1 A:HIS96 4.2 3.8 1.0
CD2 A:HIS119 4.2 5.1 1.0
C1 A:URH302 4.2 3.1 1.0
C2 A:URH302 4.8 7.5 1.0
O A:HOH560 4.8 21.0 1.0
CD A:GLU106 4.9 4.7 1.0
C6 A:URH302 5.0 5.1 1.0

Reference:

D.Pagnozzi, N.Pala, G.Biosa, R.Dallocchio, A.Dessi, P.K.Singh, D.Rogolino, A.Di Fiore, G.De Simone, C.T.Supuran, M.Sechi. Interaction Studies Between Carbonic Anhydrase and A Sulfonamide Inhibitor By Experimental and Theoretical Approaches Acs Med.Chem.Lett. V. 13 271 2022.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.1C00644
Page generated: Wed Oct 30 07:52:16 2024

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