Chlorine in PDB 4iki: Crystal Structure of Wild-Type Human Transthyretin in Complex with Indomethacin

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

Resolution Low / High (Å)	43.10 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.090, 86.120, 63.520, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Indomethacin (pdb code 4iki). 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 Indomethacin, PDB code: 4iki:
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 Indomethacin


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 Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:30.8 occ:0.50 CL A:IMN201 0.0 30.8 0.5 C13 A:IMN201 1.8 32.7 0.5 C12 A:IMN201 2.8 30.6 0.5 C14 A:IMN201 2.8 35.6 0.5 C15 A:IMN201 4.2 38.7 0.5 C11 A:IMN201 4.2 35.6 0.5 CD2 A:LEU110 4.3 13.5 1.0 C10 A:IMN201 4.7 39.9 0.5

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


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 Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:38.4 occ:0.50 CL B:IMN201 0.0 38.4 0.5 C13 B:IMN201 1.8 43.1 0.5 OG B:SER117 2.6 13.9 0.5 OG1 B:THR119 2.7 32.1 1.0 C14 B:IMN201 2.7 44.0 0.5 C12 B:IMN201 2.8 42.6 0.5 OG B:SER117 2.9 18.9 0.5 O B:SER117 3.2 15.9 0.5 C B:SER117 3.3 17.7 0.5 C B:SER117 3.5 17.1 0.5 N B:THR118 3.6 16.6 1.0 CA B:THR118 3.6 19.4 1.0 CB B:SER117 3.6 15.4 0.5 N B:THR119 3.6 18.2 1.0 C B:THR118 3.7 19.2 1.0 CB B:SER117 3.7 17.8 0.5 O B:SER117 3.7 15.3 0.5 CB B:THR119 3.8 23.2 1.0 C15 B:IMN201 4.0 50.9 0.5 C11 B:IMN201 4.1 47.4 0.5 O B:ALA108 4.1 21.3 1.0 CA B:SER117 4.1 16.8 0.5 CA B:SER117 4.2 15.4 0.5 O B:HOH329 4.2 34.1 0.5 N B:LEU110 4.2 17.0 1.0 CB B:LEU110 4.3 17.9 1.0 O B:THR118 4.3 21.2 1.0 CA B:THR119 4.3 19.2 1.0 C B:ALA108 4.5 18.9 1.0 C10 B:IMN201 4.6 48.3 0.5 OG A:SER115 4.6 21.2 1.0 CA B:ALA109 4.6 18.9 1.0 C B:ALA109 4.7 18.6 1.0 N B:ALA109 4.8 18.6 1.0 CA B:LEU110 4.9 16.4 1.0

L.M.T.R.Lima, I.Polikarpov. Crystal Structure of Wild-Type Human Transthyretin in Complex with Indomethacin To Be Published.