Chlorine in PDB 3l14: Human Carbonic Anhydrase II Complexed with Althiazide

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with Althiazide:
4.2.1.1;

The structure of Human Carbonic Anhydrase II Complexed with Althiazide, PDB code: 3l14 was solved by J.G.Quirit, A.Robbins, C.Genis, C.Tu, D.N.Silverman, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.158, 41.396, 72.391, 90.00, 104.37, 90.00
R / Rfree (%)	n/a / 17.3

The structure of Human Carbonic Anhydrase II Complexed with Althiazide also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Human Carbonic Anhydrase II Complexed with Althiazide (pdb code 3l14). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Carbonic Anhydrase II Complexed with Althiazide, PDB code: 3l14:

Chlorine binding site 1 out of 1 in the Human Carbonic Anhydrase II Complexed with Althiazide


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 Complexed with Althiazide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:14.0 occ:1.00 CL1 A:I7B301 0.0 14.0 1.0 C4 A:I7B301 1.6 10.1 1.0 C5 A:I7B301 2.6 12.6 1.0 C3 A:I7B301 2.7 8.6 1.0 O4 A:I7B301 3.2 8.8 1.0 S2 A:I7B301 3.2 8.2 1.0 O3 A:I7B301 3.3 8.8 1.0 CG2 A:VAL143 3.5 10.2 1.0 CD1 A:LEU141 3.6 10.3 1.0 CD1 A:LEU198 3.7 14.2 1.0 CG1 A:VAL121 3.9 9.7 1.0 CG A:LEU198 3.9 14.2 1.0 C6 A:I7B301 3.9 12.2 1.0 C2 A:I7B301 3.9 8.7 1.0 CG2 A:VAL121 4.0 9.0 1.0 CG2 A:VAL207 4.3 9.4 1.0 C1 A:I7B301 4.5 11.8 1.0 CB A:VAL121 4.6 8.7 1.0 CA A:LEU198 4.6 7.7 1.0 CB A:LEU198 4.8 9.1 1.0 N2 A:I7B301 4.8 8.3 1.0 CD2 A:LEU198 4.9 17.3 1.0 CB A:VAL143 4.9 8.4 1.0

J.G.Quirit, A.Robbins, J.R.Rocca, J.Johnson, C.Genis, C.Tu, D.N.Silverman, R.Mckenna. The Promiscuous Nature of Althiazide in Adducts with Ca II and Ca IX Mimic To Be Published.