Atomistry » Zinc » PDB 4dz9-4eex » 4e49
Atomistry »
  Zinc »
    PDB 4dz9-4eex »
      4e49 »

Zinc in PDB 4e49: Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors

Enzymatic activity of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors

All present enzymatic activity of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors:
4.2.1.1;

Protein crystallography data

The structure of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors, PDB code: 4e49 was solved by S.M.Cohen, D.P.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.92 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.179, 41.502, 71.824, 90.00, 104.02, 90.00
R / Rfree (%) 15.8 / 18.5

Other elements in 4e49:

The structure of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors also contains other interesting chemical elements:

Mercury (Hg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors (pdb code 4e49). 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 Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors, PDB code: 4e49:

Zinc binding site 1 out of 1 in 4e49

Go back to Zinc Binding Sites List in 4e49
Zinc binding site 1 out of 1 in the Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:5.6
occ:1.00
O A:HOH401 1.9 6.0 1.0
NE2 A:HIS96 2.0 3.9 1.0
NE2 A:HIS94 2.0 4.5 1.0
ND1 A:HIS119 2.1 4.0 1.0
CE1 A:HIS96 3.0 4.8 1.0
CD2 A:HIS94 3.0 4.9 1.0
CE1 A:HIS119 3.0 4.0 1.0
CD2 A:HIS96 3.1 5.6 1.0
CE1 A:HIS94 3.1 3.9 1.0
CG A:HIS119 3.2 2.7 1.0
CB A:HIS119 3.6 3.5 1.0
O A:HOH402 3.6 7.1 1.0
OG1 A:THR199 3.8 4.9 1.0
O3 A:RCO303 3.9 8.2 1.0
OE1 A:GLU106 4.0 5.5 1.0
NE2 A:HIS119 4.1 4.1 1.0
ND1 A:HIS96 4.1 5.5 1.0
CG A:HIS94 4.2 4.2 1.0
CG A:HIS96 4.2 4.6 1.0
ND1 A:HIS94 4.2 3.4 1.0
CD2 A:HIS119 4.2 4.0 1.0
O A:HOH404 4.5 14.2 1.0
C2 A:RCO303 4.6 7.7 1.0
C3 A:RCO303 4.6 8.2 1.0
CD A:GLU106 4.8 5.9 1.0

Reference:

D.P.Martin, S.M.Cohen. Nucleophile Recognition As An Alternative Inhibition Mode For Benzoic Acid Based Carbonic Anhydrase Inhibitors Chem.Commun.(Camb.) V. 48 5259 2012.
ISSN: ISSN 1359-7345
PubMed: 22531842
DOI: 10.1039/C2CC32013D
Page generated: Sat Oct 26 21:52:37 2024

Last articles

Zn in 9FD2
Zn in 9GUW
Zn in 9GUX
Zn in 9F7C
Zn in 9GUR
Zn in 9F7A
Zn in 9DDE
Zn in 9DBY
Zn in 9EBZ
Zn in 9DGG
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy