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Zinc in PDB 5m78: Human Carbonic Anhydrase II in Complex with Fragment-Like Inhibitor.

Enzymatic activity of Human Carbonic Anhydrase II in Complex with Fragment-Like Inhibitor.

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Fragment-Like Inhibitor.:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with Fragment-Like Inhibitor., PDB code: 5m78 was solved by S.Gloeckner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.63 / 1.08
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.439, 41.423, 72.243, 90.00, 104.75, 90.00
R / Rfree (%) 12.5 / 14.4

Other elements in 5m78:

The structure of Human Carbonic Anhydrase II in Complex with Fragment-Like Inhibitor. also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with Fragment-Like Inhibitor. (pdb code 5m78). 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 in Complex with Fragment-Like Inhibitor., PDB code: 5m78:

Zinc binding site 1 out of 1 in 5m78

Go back to Zinc Binding Sites List in 5m78
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with Fragment-Like Inhibitor.


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 in Complex with Fragment-Like Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:6.7
occ:1.00
 O A:HOH401 1.9 9.3 0.5
NE2 A:HIS94 2.0 6.9 1.0
NE2 A:HIS96 2.0 6.8 1.0
ND1 A:HIS119 2.0 6.3 1.0
O A:HOH401 2.3 7.3 0.5
CE1 A:HIS119 2.9 6.3 1.0
CD2 A:HIS94 3.0 6.6 1.0
CD2 A:HIS96 3.0 6.6 1.0
HE1 A:HIS119 3.0 7.5 1.0
CE1 A:HIS96 3.0 7.2 1.0
CE1 A:HIS94 3.0 6.8 1.0
HD2 A:HIS94 3.1 7.9 1.0
CG A:HIS119 3.2 5.7 1.0
HD2 A:HIS96 3.2 7.9 1.0
HE1 A:HIS96 3.2 8.6 1.0
HB2 A:HIS119 3.2 7.4 1.0
HE1 A:HIS94 3.3 8.1 1.0
HG1 A:THR199 3.4 8.5 1.0
CB A:HIS119 3.6 6.2 1.0
OG1 A:THR199 3.7 7.1 1.0
HB3 A:HIS119 3.8 7.4 1.0
O1' A:SAL304 3.9 17.5 0.8
OE1 A:GLU106 4.0 6.9 1.0
NE2 A:HIS119 4.1 6.5 1.0
CG A:HIS94 4.1 6.9 1.0
ND1 A:HIS94 4.1 7.2 1.0
ND1 A:HIS96 4.1 7.6 1.0
CG A:HIS96 4.2 6.7 1.0
CD2 A:HIS119 4.2 6.3 1.0
HH2 A:TRP209 4.3 8.4 1.0
O2' A:SAL304 4.4 16.2 0.8
C1' A:SAL304 4.5 16.6 0.8
HG23 A:THR200 4.8 13.1 1.0
H A:THR199 4.8 8.4 1.0
HE2 A:HIS119 4.8 7.8 1.0
CD A:GLU106 4.9 6.8 1.0
HD1 A:HIS96 4.9 9.1 1.0
HD1 A:HIS94 4.9 8.7 1.0
CB A:THR199 5.0 6.8 1.0
HG23 A:THR199 5.0 9.3 1.0

Reference:

S.Gloeckner, A.Heine, G.Klebe. Fragment-Screening Against Human Carbonic Anhydrase II To Be Published.
Page generated: Sun Oct 27 21:52:08 2024

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