Atomistry » Zinc » PDB 5b3r-5bru » 5bnl
Atomistry »
  Zinc »
    PDB 5b3r-5bru »
      5bnl »

Zinc in PDB 5bnl: Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins

Enzymatic activity of Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins

All present enzymatic activity of Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins:
4.2.1.1;

Protein crystallography data

The structure of Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins, PDB code: 5bnl was solved by C.Temperini, A.Maresca, L.Pochet, B.Masereel, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.230, 41.500, 72.420, 90.00, 104.50, 90.00
R / Rfree (%) 22.3 / 29.3

Other elements in 5bnl:

The structure of Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins (pdb code 5bnl). 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 Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins, PDB code: 5bnl:

Zinc binding site 1 out of 1 in 5bnl

Go back to Zinc Binding Sites List in 5bnl
Zinc binding site 1 out of 1 in the Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:10.2
occ:1.00
 ND1 A:HIS119 2.0 2.9 1.0
NE2 A:HIS94 2.1 7.0 1.0
NE2 A:HIS96 2.1 5.3 1.0
O A:HOH525 2.5 16.0 1.0
CE1 A:HIS119 2.9 3.2 1.0
CE1 A:HIS96 3.0 5.5 1.0
CD2 A:HIS94 3.0 6.4 1.0
CE1 A:HIS94 3.0 5.2 1.0
CG A:HIS119 3.1 2.8 1.0
CD2 A:HIS96 3.1 5.0 1.0
CB A:HIS119 3.5 2.7 1.0
OG1 A:THR199 3.7 4.7 1.0
NE2 A:HIS119 4.0 2.0 1.0
OE1 A:GLU106 4.1 3.3 1.0
ND1 A:HIS94 4.1 6.1 1.0
ND1 A:HIS96 4.1 7.5 1.0
CD2 A:HIS119 4.1 3.9 1.0
CG A:HIS94 4.2 5.3 1.0
CG A:HIS96 4.2 5.9 1.0
O A:HOH576 4.3 20.9 1.0
CD A:GLU106 5.0 3.3 1.0
CA A:HIS119 5.0 4.7 1.0

Reference:

A.Maresca, C.Temperini, L.Pochet, B.Masereel, A.Scozzafava, C.T.Supuran. Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins. J.Med.Chem. V. 53 335 2010.
ISSN: ISSN 0022-2623
PubMed: 19911821
DOI: 10.1021/JM901287J
Page generated: Sun Oct 27 13:28:39 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy