Atomistry » Mercury » PDB 1yu1-2epm » 2abe
Atomistry »
  Mercury »
    PDB 1yu1-2epm »
      2abe »

Mercury in PDB 2abe: Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators

Enzymatic activity of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators

All present enzymatic activity of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators, PDB code: 2abe was solved by C.Temperini, A.Scozzafava, L.Puccetti, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.700, 41.790, 72.830, 90.00, 104.47, 90.00
R / Rfree (%) 18.2 / 21.8

Other elements in 2abe:

The structure of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators (pdb code 2abe). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators, PDB code: 2abe:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 2abe

Go back to Mercury Binding Sites List in 2abe
Mercury binding site 1 out of 2 in the Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg263

b:18.5
occ:1.00
 SG A:CYS206 2.4 12.9 1.0
O A:HOH446 2.8 36.1 1.0
O A:HOH335 3.0 28.9 1.0
O A:GLN137 3.0 12.2 1.0
CB A:CYS206 3.1 11.8 1.0
O A:HOH373 3.2 27.3 1.0
O A:GLU205 3.3 12.2 1.0
C A:GLN137 3.4 15.0 1.0
CA A:CYS206 3.4 11.6 1.0
C A:GLU205 3.5 11.7 1.0
N A:CYS206 3.6 10.0 1.0
N A:GLN137 3.8 16.6 1.0
N A:PRO138 4.0 14.0 1.0
O A:VAL135 4.1 17.4 1.0
CA A:GLN137 4.1 15.4 1.0
CA A:PRO138 4.2 14.0 1.0
C A:GLN136 4.2 19.6 1.0
C A:VAL135 4.4 17.8 1.0
N A:GLU205 4.4 10.9 1.0
CA A:GLU205 4.5 11.2 1.0
CA A:GLN136 4.6 22.4 1.0
N A:GLN136 4.6 19.7 1.0
O A:GLN136 4.8 18.9 1.0
O A:HOH339 4.8 33.2 1.0
C A:CYS206 4.9 10.2 1.0

Mercury binding site 2 out of 2 in 2abe

Go back to Mercury Binding Sites List in 2abe
Mercury binding site 2 out of 2 in the Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg264

b:47.3
occ:1.00
 CD2 A:HIS64 2.7 20.1 1.0
O A:HOH417 2.8 28.8 1.0
O A:ASN62 2.9 11.8 1.0
CG A:HIS64 3.3 20.7 1.0
CB A:HIS64 3.4 19.6 1.0
N A:HIS64 3.6 17.8 1.0
C A:GLY63 3.7 17.2 1.0
C A:ASN62 3.9 13.9 1.0
NE2 A:HIS64 3.9 24.0 1.0
CZ2 A:TRP5 4.0 16.3 1.0
CA A:GLY63 4.1 15.9 1.0
CA A:HIS64 4.2 18.4 1.0
O A:GLY63 4.2 15.3 1.0
NZ A:LYS170 4.2 42.3 1.0
OD1 A:ASN62 4.3 13.3 1.0
CH2 A:TRP5 4.4 12.3 1.0
N A:GLY63 4.4 12.5 1.0
O A:HOH424 4.5 49.1 1.0
CE2 A:TRP5 4.6 14.4 1.0
ND1 A:HIS64 4.6 23.8 1.0
O A:HOH447 4.7 23.2 0.5
CG A:ASN62 4.8 12.9 1.0
CE1 A:HIS64 4.9 23.2 1.0
CB A:ASN62 4.9 14.6 1.0

Reference:

C.Temperini, A.Scozzafava, L.Puccetti, C.T.Supuran. Carbonic Anhydrase Activators: X-Ray Crystal Structure of the Adduct of Human Isozyme II with L-Histidine As A Platform For the Design of Stronger Activators. Bioorg.Med.Chem.Lett. V. 15 5136 2005.
ISSN: ISSN 0960-894X
PubMed: 16214338
DOI: 10.1016/J.BMCL.2005.08.069
Page generated: Sun Aug 11 02:18:13 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy