Chlorine in PDB 8qh8: Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid)

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid):
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid), PDB code: 8qh8 was solved by C.Baroni, M.Ferraroni, F.Carta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.96 / 1.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.28, 41.3, 72.22, 90, 104.37, 90
R / Rfree (%)	11.8 / 13.7

The structure of Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid) also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid) (pdb code 8qh8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid), PDB code: 8qh8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:10.1 occ:1.00 CL14 A:V8I302 0.0 10.1 1.0 C5 A:V8I302 1.7 8.5 1.0 C4 A:V8I302 2.7 10.1 1.0 C6 A:V8I302 2.7 7.3 1.0 O12 A:V8I302 3.2 7.1 1.0 O13 A:V8I302 3.2 6.9 1.0 S10 A:V8I302 3.2 6.7 1.0 CG2 A:VAL143 3.4 9.0 1.0 CD1 A:LEU141 3.7 8.3 1.0 CD1 A:LEU198 3.7 11.2 1.0 CG1 A:VAL121 3.9 7.5 1.0 C3 A:V8I302 4.0 11.0 1.0 C7 A:V8I302 4.0 8.2 1.0 CG A:LEU198 4.0 11.9 1.0 CG2 A:VAL121 4.0 7.3 1.0 CG2 A:VAL207 4.2 7.5 1.0 C2 A:V8I302 4.5 10.6 1.0 CB A:VAL121 4.6 7.2 1.0 CA A:LEU198 4.6 6.5 1.0 N11 A:V8I302 4.7 7.5 1.0 CB A:LEU198 4.8 7.3 1.0 CB A:VAL143 4.8 7.3 1.0 CG A:LEU141 5.0 8.4 1.0

Chlorine binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5- Sulfamoyl Benzoic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:22.4 occ:1.00 CL15 A:V8I302 0.0 22.4 1.0 C3 A:V8I302 1.6 11.0 1.0 C4 A:V8I302 2.6 10.1 1.0 C2 A:V8I302 2.7 10.6 1.0 O A:HOH705 2.8 46.8 1.0 C1 A:V8I302 3.1 13.9 1.0 O A:HOH708 3.1 34.9 1.0 O8 A:V8I302 3.1 15.6 1.0 O A:HOH609 3.4 25.4 1.0 O A:HOH432 3.7 29.4 1.0 NE2 A:GLN92 3.8 11.4 1.0 CZ A:PHE131 3.9 13.1 1.0 C5 A:V8I302 3.9 8.5 1.0 C7 A:V8I302 3.9 8.2 1.0 O A:HOH466 4.0 24.6 1.0 O9 A:V8I302 4.1 16.4 1.0 CE2 A:PHE131 4.4 14.3 1.0 C6 A:V8I302 4.4 7.3 1.0 CE1 A:PHE131 4.7 11.6 1.0 CD A:GLN92 5.0 8.7 1.0

C.Baroni, M.Ferraroni, F.Carta. Human Carbonic Anhydrase II in Complex with Lasamide (2,4-Dichloro 5-Sulfamoyl Benzoic Acid) To Be Published.