Chlorine in PDB 4iiz: Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib

The structure of Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib, PDB code: 4iiz was solved by L.M.T.R.Lima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.68 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	41.880, 83.000, 62.950, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 24

The structure of Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib (pdb code 4iiz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib, PDB code: 4iiz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:34.5 occ:0.50 CLE A:LUR201 0.0 34.5 0.5 CAQ A:LUR201 1.7 35.6 0.5 OAC A:LUR201 2.3 29.9 0.5 CAT A:LUR201 2.7 36.5 0.5 CAH A:LUR201 2.7 36.6 0.5 NAM A:LUR201 2.8 41.6 0.5 NZ A:LYS15 3.2 36.1 0.5 CAN A:LUR201 3.3 32.4 0.5 CE A:LYS15 3.4 33.8 0.5 O A:HOH337 3.6 11.3 0.5 CD2 A:LEU17 3.6 25.9 0.5 CAL A:LUR201 3.7 37.5 0.5 CAS A:LUR201 3.7 46.9 0.5 CAR A:LUR201 4.0 47.2 0.5 CE A:LYS15 4.0 26.0 0.5 CD2 A:LEU17 4.0 17.4 0.5 CAF A:LUR201 4.0 33.2 0.5 CAP A:LUR201 4.0 34.2 0.5 CG A:LEU17 4.0 18.6 0.5 CD A:LYS15 4.1 31.7 0.5 CD1 A:LEU17 4.3 17.2 0.5 NZ A:LYS15 4.4 27.3 0.5 OAB A:LUR201 4.4 27.6 0.5 CAG A:LUR201 4.5 34.9 0.5 CD A:LYS15 4.6 25.7 0.5 CAJ A:LUR201 4.7 51.2 0.5 CG A:LYS15 5.0 29.3 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:58.6 occ:0.50 CLE B:LUR201 0.0 58.6 0.5 CAQ B:LUR201 1.7 41.4 0.5 CAJ B:LUR201 2.6 39.1 0.5 CD1 B:LEU17 2.6 22.6 0.5 CAH B:LUR201 2.7 41.5 0.5 CD1 B:LEU17 2.7 26.1 0.5 CAT B:LUR201 2.8 38.7 0.5 NAM B:LUR201 3.2 41.9 0.5 CAS B:LUR201 3.3 45.0 0.5 CAI B:LUR201 3.7 41.9 0.5 CG B:LEU17 3.9 21.2 0.5 CD2 B:LEU110 3.9 25.0 0.5 CAF B:LUR201 4.0 42.1 0.5 CAP B:LUR201 4.0 39.9 0.5 NZ B:LYS15 4.1 30.6 0.5 CG B:LEU17 4.1 27.0 0.5 CD2 B:LEU17 4.5 18.7 0.5 CD1 B:LEU110 4.5 23.3 0.5 CAG B:LUR201 4.5 41.5 0.5 CB B:LEU17 4.5 21.0 0.5 CB B:LEU17 4.6 24.5 0.5 CD2 B:LEU17 4.6 26.4 0.5 CAR B:LUR201 4.6 45.1 0.5 CG B:LEU110 4.9 24.7 0.5 CAO B:LUR201 4.9 38.3 0.5

L.M.T.R.Lima, L.M.T.R.Lima. N/A N/A.