Atomistry » Zinc » PDB 1kjz-1kys » 1kwr
Atomistry »
  Zinc »
    PDB 1kjz-1kys »
      1kwr »

Zinc in PDB 1kwr: Human Carbonic Anhydrase II Complexed with Inhibitor 0134-36

Enzymatic activity of Human Carbonic Anhydrase II Complexed with Inhibitor 0134-36

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with Inhibitor 0134-36:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II Complexed with Inhibitor 0134-36, PDB code: 1kwr was solved by S.Grueneberg, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.560, 41.400, 72.340, 90.00, 104.40, 90.00
R / Rfree (%) 19.6 / 26.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Complexed with Inhibitor 0134-36 (pdb code 1kwr). 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 Human Carbonic Anhydrase II Complexed with Inhibitor 0134-36, PDB code: 1kwr:

Zinc binding site 1 out of 1 in 1kwr

Go back to Zinc Binding Sites List in 1kwr
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Complexed with Inhibitor 0134-36


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II Complexed with Inhibitor 0134-36 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:16.4
occ:1.00
N12 A:SG2900 1.7 11.8 1.0
NE2 A:HIS96 2.1 5.7 1.0
ND1 A:HIS119 2.1 3.9 1.0
NE2 A:HIS94 2.3 9.4 1.0
CE1 A:HIS119 2.9 3.7 1.0
S1 A:SG2900 3.0 5.3 1.0
CD2 A:HIS96 3.0 3.5 1.0
CD2 A:HIS94 3.0 6.1 1.0
O13 A:SG2900 3.1 11.6 1.0
CE1 A:HIS96 3.1 3.6 1.0
CG A:HIS119 3.3 7.3 1.0
CE1 A:HIS94 3.4 8.6 1.0
OG1 A:THR199 3.6 10.7 1.0
CB A:HIS119 3.7 8.1 1.0
O14 A:SG2900 3.9 13.0 1.0
OE1 A:GLU106 4.1 6.4 1.0
C2 A:SG2900 4.1 13.9 1.0
NE2 A:HIS119 4.1 2.2 1.0
CG A:HIS96 4.1 8.2 1.0
ND1 A:HIS96 4.2 6.7 1.0
CG A:HIS94 4.2 8.2 1.0
CD2 A:HIS119 4.3 2.0 1.0
ND1 A:HIS94 4.4 7.0 1.0
C3 A:SG2900 4.7 13.1 1.0
C11 A:SG2900 4.8 14.4 1.0
CD A:GLU106 4.9 9.0 1.0
CB A:THR199 5.0 9.1 1.0

Reference:

S.Gruneberg, M.T.Stubbs, G.Klebe. Successful Virtual Screening For Novel Inhibitors of Human Carbonic Anhydrase: Strategy and Experimental Confirmation. J.Med.Chem. V. 45 3588 2002.
ISSN: ISSN 0022-2623
PubMed: 12166932
DOI: 10.1021/JM011112J
Page generated: Wed Dec 16 02:55:40 2020

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