Atomistry » Mercury » PDB 3wee-4ia4 » 4fpt
Atomistry »
  Mercury »
    PDB 3wee-4ia4 »
      4fpt »

Mercury in PDB 4fpt: Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate

Enzymatic activity of Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate

All present enzymatic activity of Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate, PDB code: 4fpt was solved by A.Di Pizio, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 0.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.256, 41.607, 72.153, 90.00, 104.22, 90.00
R / Rfree (%) 12.8 / 15.8

Other elements in 4fpt:

The structure of Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate (pdb code 4fpt). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate, PDB code: 4fpt:

Mercury binding site 1 out of 1 in 4fpt

Go back to Mercury Binding Sites List in 4fpt
Mercury binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase II in Complex with Ethyl (2Z,4R)-2- (Sulfamoylimino)-1,3-Thiazolidine-4-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg301

b:6.9
occ:0.35
 HG A:MBO301 0.0 6.9 0.3
CE1 A:MBO301 2.1 7.0 0.3
O A:HOH592 2.4 27.4 1.0
SG A:CYS206 2.4 5.8 0.3
O A:GLN137 3.0 7.8 1.0
CE6 A:MBO301 3.0 7.4 0.3
CE2 A:MBO301 3.1 12.2 0.3
O A:GLU205 3.1 7.9 1.0
C A:GLN137 3.3 7.6 1.0
CB A:CYS206 3.3 6.9 0.7
CB A:CYS206 3.3 9.5 0.3
O A:VAL135 3.4 11.0 0.5
C A:GLU205 3.4 6.0 1.0
CA A:CYS206 3.5 6.2 0.3
CA A:CYS206 3.5 5.6 0.7
N A:GLN137 3.6 8.5 1.0
N A:CYS206 3.7 5.4 1.0
O A:HOH434 3.8 17.0 1.0
N A:PRO138 3.8 8.0 1.0
C A:GLN136 3.9 10.2 1.0
CA A:GLN137 3.9 7.9 1.0
CA A:PRO138 4.0 8.7 1.0
N A:GLU205 4.2 6.3 1.0
C A:VAL135 4.2 12.3 0.5
O A:VAL135 4.2 9.3 0.5
CE5 A:MBO301 4.3 8.2 0.3
CA A:GLU205 4.3 6.2 1.0
O A:GLN136 4.4 14.6 1.0
CE3 A:MBO301 4.4 8.7 0.3
CA A:GLN136 4.5 11.7 1.0
C A:VAL135 4.5 11.6 0.5
SG A:CYS206 4.6 9.8 0.7
N A:GLN136 4.7 10.1 1.0
CD A:PRO138 4.7 10.1 1.0
CE4 A:MBO301 4.9 9.5 0.3
C A:LEU204 4.9 6.0 1.0
CB A:LEU204 4.9 8.1 1.0
C A:CYS206 5.0 5.8 1.0
CB A:GLU205 5.0 6.9 1.0
C A:PRO138 5.0 8.2 1.0

Reference:

A.Di Pizio, J.Schulze Wischeler, M.Haake, A.Heine, G.Klebe. High Resolution Crystal Structures of Carbonic Anhydrase II in Complex with Novel Sulfamide Binders To Be Published.
Page generated: Sun Aug 11 04:38:26 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy