Atomistry » Chlorine » PDB 2pgc-2px2 » 2pou
Atomistry »
  Chlorine »
    PDB 2pgc-2px2 »
      2pou »

Chlorine in PDB 2pou: The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide

Enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide

All present enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide, PDB code: 2pou was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.910, 41.300, 71.740, 90.00, 104.31, 90.00
R / Rfree (%) 19.3 / 22.4

Other elements in 2pou:

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide (pdb code 2pou). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide, PDB code: 2pou:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2pou

Go back to Chlorine Binding Sites List in 2pou
Chlorine binding site 1 out of 2 in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1000

b:10.4
occ:1.00
CL1 A:I7A1000 0.0 10.4 1.0
C4 A:I7A1000 1.7 8.6 1.0
C5 A:I7A1000 2.7 9.0 1.0
C3 A:I7A1000 2.7 8.6 1.0
CL2 A:I7A1000 3.1 12.6 1.0
O3 A:I7A1000 3.1 8.6 1.0
S2 A:I7A1000 3.2 8.1 1.0
O4 A:I7A1000 3.3 6.2 1.0
CG2 A:VAL143 3.6 7.2 1.0
CG A:LEU198 3.6 10.2 1.0
CD1 A:LEU198 3.7 10.8 1.0
CD1 A:LEU141 3.9 8.2 1.0
CG1 A:VAL121 3.9 6.2 1.0
C6 A:I7A1000 4.0 10.4 1.0
CG2 A:VAL121 4.0 6.3 1.0
C2 A:I7A1000 4.0 9.0 1.0
CG2 A:VAL207 4.4 8.6 1.0
CA A:LEU198 4.5 7.3 1.0
C1 A:I7A1000 4.5 10.7 1.0
CB A:LEU198 4.5 9.0 1.0
CB A:VAL121 4.6 7.4 1.0
CD2 A:LEU198 4.7 11.7 1.0
N2 A:I7A1000 4.8 7.4 1.0
CB A:VAL143 4.9 6.5 1.0

Chlorine binding site 2 out of 2 in 2pou

Go back to Chlorine Binding Sites List in 2pou
Chlorine binding site 2 out of 2 in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4,5-Dichloro-Benzene-1,3-Disulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1000

b:12.6
occ:1.00
CL2 A:I7A1000 0.0 12.6 1.0
C5 A:I7A1000 1.7 9.0 1.0
C6 A:I7A1000 2.7 10.4 1.0
C4 A:I7A1000 2.7 8.6 1.0
CL1 A:I7A1000 3.1 10.4 1.0
CZ A:PHE131 3.3 15.5 1.0
CE2 A:PHE131 3.5 14.9 1.0
CD1 A:LEU141 3.8 8.2 1.0
CG1 A:VAL121 3.9 6.2 1.0
C1 A:I7A1000 4.0 10.7 1.0
C3 A:I7A1000 4.0 8.6 1.0
CG A:LEU198 4.1 10.2 1.0
CD2 A:LEU198 4.2 11.7 1.0
O A:HOH1249 4.2 31.5 1.0
CD1 A:LEU198 4.3 10.8 1.0
C2 A:I7A1000 4.5 9.0 1.0
CE1 A:PHE131 4.6 14.9 1.0
CG2 A:VAL121 4.7 6.3 1.0
CD2 A:PHE131 4.8 13.7 1.0
CB A:VAL121 4.8 7.4 1.0
O A:HOH1247 5.0 33.8 1.0

Reference:

V.Alterio, G.De Simone, S.M.Monti, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors: Inhibition of Human, Bacterial, and Archaeal Isozymes with Benzene-1,3-Disulfonamides-Solution and Crystallographic Studies. Bioorg.Med.Chem.Lett. V. 17 4201 2007.
ISSN: ISSN 0960-894X
PubMed: 17540563
DOI: 10.1016/J.BMCL.2007.05.045
Page generated: Sat Jul 20 10:15:18 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy