Chlorine in PDB 1u21: Transthyretin with Tethered Inhibitor on One Monomer.

The structure of Transthyretin with Tethered Inhibitor on One Monomer., PDB code: 1u21 was solved by R.L.Wiseman, S.M.Johnson, M.S.Kelker, T.Foss, I.A.Wilson, J.W.Kelly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.63 / 1.69
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.654, 85.643, 63.925, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 23.9

The binding sites of Chlorine atom in the Transthyretin with Tethered Inhibitor on One Monomer. (pdb code 1u21). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Transthyretin with Tethered Inhibitor on One Monomer., PDB code: 1u21:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Transthyretin with Tethered Inhibitor on One Monomer.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Transthyretin with Tethered Inhibitor on One Monomer. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:49.9 occ:0.50 CL8 A:P2C211 0.0 49.9 0.5 C1 A:P2C211 1.8 45.0 0.5 C2 A:P2C211 2.8 45.1 0.5 C6 A:P2C211 2.8 43.0 0.5 O9 A:P2C211 3.0 46.4 0.5 CD1 A:LEU17 3.6 21.3 1.0 C5 A:P2C211 4.1 41.4 0.5 C3 A:P2C211 4.1 44.2 0.5 O10 A:P2C211 4.4 47.1 0.5 CE A:LYS15 4.4 26.2 1.0 C4 A:P2C211 4.6 42.7 0.5 CG A:LEU17 4.8 16.8 1.0

Chlorine binding site 2 out of 4 in the Transthyretin with Tethered Inhibitor on One Monomer.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Transthyretin with Tethered Inhibitor on One Monomer. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:46.9 occ:0.50 CL7 A:P2C211 0.0 46.9 0.5 C3 A:P2C211 1.8 44.2 0.5 O10 A:P2C211 2.8 47.1 0.5 C4 A:P2C211 2.8 42.7 0.5 C2 A:P2C211 2.8 45.1 0.5 O9 A:P2C211 3.2 46.4 0.5 CG2 A:THR106 3.9 14.5 1.0 O11 A:P2C211 3.9 46.0 0.5 C5 A:P2C211 4.1 41.4 0.5 C1 A:P2C211 4.2 45.0 0.5 CG2 A:VAL121 4.2 13.8 1.0 CB A:ALA108 4.7 15.6 1.0 C6 A:P2C211 4.7 43.0 0.5 CD A:LYS15 4.7 25.2 1.0 CB A:THR106 4.8 13.6 1.0 CB A:VAL121 5.0 11.7 1.0

Chlorine binding site 3 out of 4 in the Transthyretin with Tethered Inhibitor on One Monomer.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Transthyretin with Tethered Inhibitor on One Monomer. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl221 b:47.6 occ:0.50 CL8 B:P2C221 0.0 47.6 0.5 C1 B:P2C221 1.8 45.0 0.5 C6 B:P2C221 2.8 44.0 0.5 C2 B:P2C221 2.8 46.1 0.5 O9 B:P2C221 3.1 47.0 0.5 CD1 B:LEU17 3.5 18.2 1.0 O10 B:P2C221 4.0 47.9 0.5 C5 B:P2C221 4.1 42.6 0.5 C3 B:P2C221 4.2 45.8 0.5 O11 B:P2C221 4.2 47.8 0.5 C4 B:P2C221 4.6 44.2 0.5 CG B:LEU17 4.7 14.5 1.0 CD2 B:LEU17 4.9 14.4 1.0 C15 B:P2C221 4.9 36.8 0.5

Chlorine binding site 4 out of 4 in the Transthyretin with Tethered Inhibitor on One Monomer.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Transthyretin with Tethered Inhibitor on One Monomer. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl221 b:48.7 occ:0.50 CL7 B:P2C221 0.0 48.7 0.5 C3 B:P2C221 1.8 45.8 0.5 C4 B:P2C221 2.7 44.2 0.5 C2 B:P2C221 2.9 46.1 0.5 O9 B:P2C221 3.2 47.0 0.5 CD B:LYS15 3.5 27.0 1.0 O10 B:P2C221 3.5 47.9 0.5 C5 B:P2C221 4.1 42.6 0.5 C1 B:P2C221 4.2 45.0 0.5 CB B:ALA108 4.2 14.0 1.0 CG B:LYS15 4.3 21.4 1.0 CE B:LYS15 4.3 28.4 1.0 CB B:LYS15 4.6 17.4 1.0 CG2 B:THR106 4.6 15.7 1.0 C6 B:P2C221 4.6 44.0 0.5 O11 B:P2C221 4.8 47.8 0.5

R.L.Wiseman, S.M.Johnson, M.S.Kelker, T.Foss, I.A.Wilson, J.W.Kelly. Kinetic Stabilization of An Oligomeric Protein By A Single Ligand Binding Event J.Am.Chem.Soc. V. 127 5540 2005.
ISSN: ISSN 0002-7863
PubMed: 15826192
DOI: 10.1021/JA042929F