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

The structure of Human Carbonic Anhydrase IX Mimic in Complex with Lasamide (2,4- Dichloro 5-Sulfamoyl Benzoic Acid), PDB code: 8qhg 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)	78.67 / 1.91
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	157.33, 157.33, 157.33, 90, 90, 90
R / Rfree (%)	19.2 / 22

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

Nickel	(Ni)	1 atom
Zinc	(Zn)	1 atom

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

Chlorine binding site 1 out of 2 in the Human Carbonic Anhydrase IX 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 IX Mimic in Complex with Lasamide (2,4- Dichloro 5-Sulfamoyl Benzoic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:34.0 occ:1.00 CL14 A:V8I301 0.0 34.0 1.0 C5 A:V8I301 1.7 28.9 1.0 C4 A:V8I301 2.6 35.8 1.0 C6 A:V8I301 2.7 25.6 1.0 O12 A:V8I301 3.2 25.9 1.0 O13 A:V8I301 3.2 26.7 1.0 S10 A:V8I301 3.2 26.6 1.0 CD2 A:LEU198 3.4 34.0 1.0 CG2 A:VAL143 3.4 26.3 1.0 CG1 A:VAL121 3.9 26.9 1.0 C3 A:V8I301 3.9 39.9 1.0 C7 A:V8I301 4.0 29.1 1.0 CG2 A:VAL121 4.0 27.1 1.0 CD1 A:LEU141 4.3 34.5 1.0 CG2 A:VAL207 4.4 31.7 1.0 C2 A:V8I301 4.5 30.4 1.0 CG A:LEU198 4.5 33.8 1.0 CB A:VAL121 4.6 26.6 1.0 CA A:LEU198 4.6 26.1 1.0 CB A:LEU198 4.7 29.1 1.0 N11 A:V8I301 4.8 25.1 1.0 CB A:VAL143 4.8 25.1 1.0

Chlorine binding site 2 out of 2 in the Human Carbonic Anhydrase IX 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 IX Mimic in Complex with Lasamide (2,4- Dichloro 5-Sulfamoyl Benzoic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:62.8 occ:1.00 CL15 A:V8I301 0.0 62.8 1.0 C3 A:V8I301 1.7 39.9 1.0 C4 A:V8I301 2.6 35.8 1.0 C2 A:V8I301 2.7 30.4 1.0 O8 A:V8I301 3.1 44.1 1.0 C1 A:V8I301 3.1 37.9 1.0 NE2 A:GLN92 3.7 32.3 1.0 C5 A:V8I301 3.9 28.9 1.0 C7 A:V8I301 4.0 29.1 1.0 O9 A:V8I301 4.1 44.2 1.0 C6 A:V8I301 4.4 25.6 1.0 CD A:GLN92 4.9 30.9 1.0

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