Atomistry » Zinc » PDB 7rix-7s6h » 7rre
Atomistry »
  Zinc »
    PDB 7rix-7s6h »
      7rre »

Zinc in PDB 7rre: Carbonic Anhydrase II in Complex with Beta-Galactose-2C

Enzymatic activity of Carbonic Anhydrase II in Complex with Beta-Galactose-2C

All present enzymatic activity of Carbonic Anhydrase II in Complex with Beta-Galactose-2C:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II in Complex with Beta-Galactose-2C, PDB code: 7rre was solved by R.Mckenna, J.E.Combs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.58 / 1.44
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.433, 41.354, 72.038, 90, 104.27, 90
R / Rfree (%) 14.7 / 16.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase II in Complex with Beta-Galactose-2C (pdb code 7rre). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Carbonic Anhydrase II in Complex with Beta-Galactose-2C, PDB code: 7rre:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7rre

Go back to Zinc Binding Sites List in 7rre
Zinc binding site 1 out of 2 in the Carbonic Anhydrase II in Complex with Beta-Galactose-2C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II in Complex with Beta-Galactose-2C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn303

b:8.3
occ:1.00
O A:HOH420 1.9 12.5 1.0
NE2 A:HIS94 2.1 6.8 1.0
NE2 A:HIS96 2.1 7.2 1.0
ND1 A:HIS119 2.1 8.0 1.0
CE1 A:HIS119 2.9 6.2 1.0
CD2 A:HIS94 3.0 7.1 1.0
HE1 A:HIS119 3.0 7.4 1.0
CE1 A:HIS96 3.1 8.8 1.0
CE1 A:HIS94 3.1 7.5 1.0
CD2 A:HIS96 3.1 7.5 1.0
HD2 A:HIS94 3.2 8.5 1.0
CG A:HIS119 3.2 6.0 1.0
HD2 A:HIS96 3.2 9.0 1.0
HE1 A:HIS96 3.2 10.5 1.0
HB2 A:HIS119 3.3 7.6 1.0
HE1 A:HIS94 3.3 9.0 1.0
HG1 A:THR199 3.6 9.4 1.0
O A:HOH423 3.6 27.4 1.0
CB A:HIS119 3.6 6.3 1.0
O30 A:6IV301 3.8 22.3 1.0
HB3 A:HIS119 3.8 7.6 1.0
OG1 A:THR199 3.8 7.9 1.0
OE1 A:GLU106 4.0 8.2 1.0
NE2 A:HIS119 4.1 7.5 1.0
CG A:HIS94 4.1 7.6 1.0
ND1 A:HIS94 4.1 7.7 1.0
ND1 A:HIS96 4.2 7.8 1.0
HH2 A:TRP209 4.2 10.0 1.0
CG A:HIS96 4.2 8.3 1.0
N28 A:6IV301 4.2 17.4 1.0
CD2 A:HIS119 4.2 6.4 1.0
C1 A:GOL302 4.4 18.3 1.0
S26 A:6IV301 4.6 19.4 1.0
C27 A:6IV301 4.7 21.6 1.0
HE2 A:HIS119 4.9 8.9 1.0
CD A:GLU106 4.9 8.1 1.0
HD1 A:HIS94 4.9 9.3 1.0
HD1 A:HIS96 5.0 9.4 1.0
O29 A:6IV301 5.0 17.2 1.0

Zinc binding site 2 out of 2 in 7rre

Go back to Zinc Binding Sites List in 7rre
Zinc binding site 2 out of 2 in the Carbonic Anhydrase II in Complex with Beta-Galactose-2C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Carbonic Anhydrase II in Complex with Beta-Galactose-2C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn304

b:30.5
occ:1.00
H A:HIS4 1.4 34.2 1.0
O A:HOH401 1.8 29.7 1.0
HB3 A:HIS3 2.1 46.1 1.0
N A:HIS4 2.1 28.5 1.0
HD1 A:HIS3 2.3 57.8 1.0
ND1 A:HIS4 2.4 21.3 1.0
ND1 A:HIS3 2.5 48.2 1.0
CB A:HIS3 2.5 38.4 1.0
HA A:HIS3 2.5 52.0 1.0
CG A:HIS3 2.5 46.8 1.0
CA A:HIS3 2.7 43.4 1.0
C A:HIS3 2.7 31.8 1.0
H A:TRP5 3.1 19.4 1.0
CE1 A:HIS4 3.3 20.6 1.0
CA A:HIS4 3.3 25.4 1.0
CG A:HIS4 3.4 21.8 1.0
HE1 A:HIS4 3.4 24.8 1.0
HB2 A:HIS3 3.4 46.1 1.0
CD2 A:HIS3 3.5 51.3 1.0
CE1 A:HIS3 3.5 54.5 1.0
CB A:HIS4 3.7 21.1 1.0
N A:TRP5 3.8 16.1 1.0
HB3 A:HIS4 3.8 25.3 1.0
O A:HIS3 3.9 29.9 1.0
NE2 A:HIS3 4.0 54.8 1.0
HA A:HIS4 4.0 30.6 1.0
HD2 A:HIS3 4.1 61.6 1.0
C A:HIS4 4.1 17.7 1.0
N A:HIS3 4.1 41.4 1.0
HE1 A:HIS3 4.1 65.4 1.0
NE2 A:HIS4 4.4 23.6 1.0
CD2 A:HIS4 4.5 22.8 1.0
HB2 A:HIS4 4.7 25.3 1.0
HD1 A:TRP5 4.7 16.9 1.0
O A:TRP5 4.7 13.9 1.0

Reference:

J.E.Combs, A.B.Murray, C.L.Lomelino, M.Y.Mboge, S.C.Frost, N.A.Horenstein, R.Mckenna, H.M.Becker. Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in Breast Cancer Via Novel Inhibition with Beta-Galactose 2C To Be Published.
Page generated: Sat Apr 8 02:52:07 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy