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

All present enzymatic activity of Human Carbonic Anhydrase XII Mimic in Complex with Lasamide (2,4- Dichloro-5-Sulfamoyl Benzoic Acid):
4.2.1.1; 4.2.1.69;

The structure of Human Carbonic Anhydrase XII Mimic in Complex with Lasamide (2,4- Dichloro-5-Sulfamoyl Benzoic Acid), PDB code: 8qhj 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)	39.74 / 1.62
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.164, 41.572, 71.966, 90, 104.02, 90
R / Rfree (%)	18.3 / 21.8

The structure of Human Carbonic Anhydrase XII Mimic 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 XII Mimic in Complex with Lasamide (2,4- Dichloro-5-Sulfamoyl Benzoic Acid) (pdb code 8qhj). 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 XII Mimic in Complex with Lasamide (2,4- Dichloro-5-Sulfamoyl Benzoic Acid), PDB code: 8qhj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Carbonic Anhydrase XII Mimic 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 XII Mimic 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:17.9 occ:1.00 CL14 A:V8I302 0.0 17.9 1.0 C5 A:V8I302 1.7 14.4 1.0 C4 A:V8I302 2.7 15.7 1.0 C6 A:V8I302 2.7 14.8 1.0 S10 A:V8I302 3.2 14.2 1.0 O12 A:V8I302 3.2 13.7 1.0 O13 A:V8I302 3.2 12.3 1.0 CG2 A:VAL142 3.5 11.3 1.0 CD1 A:LEU197 3.7 14.7 1.0 CG A:LEU197 3.7 14.8 1.0 CG1 A:VAL121 3.9 11.4 1.0 C3 A:V8I302 4.0 17.5 1.0 C7 A:V8I302 4.0 16.6 1.0 CG2 A:VAL121 4.1 12.3 1.0 CG2 A:VAL206 4.2 12.9 1.0 CD1 A:LEU140 4.4 12.7 1.0 CA A:LEU197 4.5 11.7 1.0 C2 A:V8I302 4.5 17.3 1.0 CB A:VAL121 4.6 11.9 1.0 CB A:LEU197 4.6 12.8 1.0 CD2 A:LEU197 4.7 16.9 1.0 N11 A:V8I302 4.8 13.3 1.0 CB A:VAL142 4.9 11.1 1.0

Chlorine binding site 2 out of 2 in the Human Carbonic Anhydrase XII Mimic 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 XII Mimic 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:34.6 occ:1.00 CL15 A:V8I302 0.0 34.6 1.0 C3 A:V8I302 1.8 17.5 1.0 C4 A:V8I302 2.7 15.7 1.0 C2 A:V8I302 2.7 17.3 1.0 O8 A:V8I302 2.9 25.7 1.0 C1 A:V8I302 3.0 21.2 1.0 O A:HOH542 3.4 32.1 1.0 NE2 A:GLN92 3.5 18.9 1.0 C5 A:V8I302 4.0 14.4 1.0 C7 A:V8I302 4.0 16.6 1.0 O A:HOH427 4.0 30.2 1.0 O9 A:V8I302 4.1 21.7 1.0 C6 A:V8I302 4.5 14.8 1.0 CD2 A:LEU197 4.7 16.9 1.0 CD A:GLN92 4.8 16.1 1.0

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