Atomistry » Zinc » PDB 5n34-5nek » 5nea
Atomistry »
  Zinc »
    PDB 5n34-5nek »
      5nea »

Zinc in PDB 5nea: Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-(2-Methyl-1,3-Oxazol-5-Yl)Benzene-1-Sulfonammide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-(2-Methyl-1,3-Oxazol-5-Yl)Benzene-1-Sulfonammide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-(2-Methyl-1,3-Oxazol-5-Yl)Benzene-1-Sulfonammide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-(2-Methyl-1,3-Oxazol-5-Yl)Benzene-1-Sulfonammide, PDB code: 5nea was solved by M.Ferraroni, C.T.Supuran, M.Krasavin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.380, 41.256, 72.071, 90.00, 104.45, 90.00
R / Rfree (%) 16.6 / 18.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-(2-Methyl-1,3-Oxazol-5-Yl)Benzene-1-Sulfonammide (pdb code 5nea). 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 in Complex with the Inhibitor 4-(2-Methyl-1,3-Oxazol-5-Yl)Benzene-1-Sulfonammide, PDB code: 5nea:

Zinc binding site 1 out of 1 in 5nea

Go back to Zinc Binding Sites List in 5nea
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the Inhibitor 4-(2-Methyl-1,3-Oxazol-5-Yl)Benzene-1-Sulfonammide


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 in Complex with the Inhibitor 4-(2-Methyl-1,3-Oxazol-5-Yl)Benzene-1-Sulfonammide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:5.3
occ:1.00
 N10 A:8V8302 1.9 6.5 1.0
NE2 A:HIS94 2.0 5.0 1.0
ND1 A:HIS119 2.1 5.3 1.0
NE2 A:HIS96 2.1 5.8 1.0
CE1 A:HIS119 2.9 5.2 1.0
CD2 A:HIS94 3.0 5.1 1.0
O9 A:8V8302 3.0 6.6 1.0
CD2 A:HIS96 3.0 5.9 1.0
CE1 A:HIS94 3.0 5.0 1.0
S7 A:8V8302 3.0 6.4 1.0
CE1 A:HIS96 3.1 6.0 1.0
CG A:HIS119 3.2 5.1 1.0
CB A:HIS119 3.6 5.2 1.0
OG1 A:THR199 3.9 5.8 1.0
OE1 A:GLU106 4.0 6.3 1.0
O8 A:8V8302 4.1 6.4 1.0
NE2 A:HIS119 4.1 5.2 1.0
ND1 A:HIS94 4.1 5.3 1.0
CG A:HIS94 4.1 5.3 1.0
CG A:HIS96 4.2 5.8 1.0
ND1 A:HIS96 4.2 6.0 1.0
C4 A:8V8302 4.2 7.4 1.0
CD2 A:HIS119 4.2 5.2 1.0
C3 A:GOL304 4.4 10.8 1.0
C3 A:8V8302 4.9 7.9 1.0
CD A:GLU106 4.9 6.4 1.0
C5 A:8V8302 4.9 7.9 1.0

Reference:

M.Ferraroni, L.Lucarini, E.Masini, M.Korsakov, A.Scozzafava, C.T.Supuran, M.Krasavin. 1,3-Oxazole-Based Selective Picomolar Inhibitors of Cytosolic Human Carbonic Anhydrase II Alleviate Ocular Hypertension in Rabbits: Potency Is Supported By X-Ray Crystallography of Two Leads. Bioorg. Med. Chem. V. 25 4560 2017.
ISSN: ESSN 1464-3391
PubMed: 28728897
DOI: 10.1016/J.BMC.2017.06.054
Page generated: Sun Oct 27 22:46:20 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy