Chlorine in PDB 3ipe: Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker).

The structure of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker)., PDB code: 3ipe was solved by S.E.Kolstoe, S.P.Wood, M.B.Pepys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.26 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.241, 84.876, 63.390, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.6

The binding sites of Chlorine atom in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker). (pdb code 3ipe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker)., PDB code: 3ipe:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker). within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl128 b:19.8 occ:0.50 CL1 B:JZE128 0.0 19.8 0.5 C10 B:JZE128 1.7 21.4 0.5 C9 B:JZE128 2.7 23.4 0.5 C13 B:JZE128 2.7 21.1 0.5 O3 B:JZE128 2.9 21.6 0.5 C14 B:JZE128 3.5 21.5 0.5 C8 B:JZE128 4.0 24.9 0.5 C12 B:JZE128 4.0 21.3 0.5 C11 B:JZE128 4.5 22.9 0.5 C15 B:JZE128 4.7 21.2 0.5 CD2 A:LEU110 4.8 15.2 1.0

Chlorine binding site 2 out of 4 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker). within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl128 b:20.4 occ:0.50 CL2 B:JZE128 0.0 20.4 0.5 C12 B:JZE128 1.7 21.3 0.5 C11 B:JZE128 2.7 22.9 0.5 C13 B:JZE128 2.7 21.1 0.5 CG2 A:THR119 2.8 13.6 0.4 O3 B:JZE128 3.0 21.6 0.5 OG A:SER117 3.0 22.0 1.0 C14 B:JZE128 3.5 21.5 0.5 O A:SER117 3.8 13.6 1.0 C A:SER117 3.9 13.8 1.0 N A:THR119 3.9 13.1 0.6 CG2 A:THR119 3.9 13.3 0.6 CB A:SER117 4.0 15.8 1.0 N A:THR119 4.0 13.8 0.4 C15 B:JZE128 4.0 21.2 0.5 CA A:THR118 4.0 14.1 1.0 N A:THR118 4.0 14.3 1.0 C10 B:JZE128 4.0 21.4 0.5 C8 B:JZE128 4.0 24.9 0.5 C A:THR118 4.1 13.7 1.0 CB A:LEU110 4.1 11.6 1.0 N A:LEU110 4.1 11.7 1.0 O A:ALA108 4.2 13.0 1.0 CB A:THR119 4.2 14.2 0.4 CB A:THR119 4.2 12.6 0.6 C A:ALA108 4.5 12.4 1.0 CA A:ALA109 4.5 12.2 1.0 C A:ALA109 4.5 12.1 1.0 C9 B:JZE128 4.6 23.4 0.5 CA A:SER117 4.6 14.6 1.0 CA A:THR119 4.7 12.2 0.6 OG1 A:THR119 4.7 15.9 0.4 CA A:THR119 4.7 13.5 0.4 O A:THR118 4.7 15.0 1.0 N A:ALA109 4.8 12.5 1.0 CA A:LEU110 4.8 11.5 1.0 CB A:ALA108 4.8 12.5 1.0

Chlorine binding site 3 out of 4 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker). within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl128 b:24.0 occ:0.50 CL3 B:JZE128 0.0 24.0 0.5 C22 B:JZE128 1.7 25.6 0.5 C23 B:JZE128 2.7 27.8 0.5 C21 B:JZE128 2.7 25.6 0.5 OG B:SER117 2.9 18.3 0.5 O4 B:JZE128 3.0 25.9 0.5 OG1 B:THR119 3.1 14.2 0.4 C20 B:JZE128 3.4 25.1 0.5 O B:SER117 3.7 13.3 0.5 O B:SER117 3.7 13.5 0.5 C B:SER117 3.8 13.6 0.5 N B:THR119 3.8 12.9 0.6 CB B:THR119 3.8 13.9 0.4 C B:SER117 3.8 13.9 0.5 CA B:THR118 3.9 14.2 1.0 N B:THR118 3.9 13.6 1.0 CB B:SER117 3.9 14.3 0.5 N B:THR119 4.0 13.6 0.4 C B:THR118 4.0 14.1 1.0 CG2 B:THR119 4.0 13.2 0.6 C26 B:JZE128 4.0 29.3 0.5 C24 B:JZE128 4.0 25.6 0.5 CB B:SER117 4.0 15.4 0.5 O B:ALA108 4.1 14.3 1.0 N B:LEU110 4.1 11.4 1.0 CB B:LEU110 4.1 12.1 1.0 C19 B:JZE128 4.1 23.8 0.5 CB B:THR119 4.3 13.1 0.6 C B:ALA108 4.4 13.6 1.0 CA B:ALA109 4.5 13.2 1.0 C B:ALA109 4.5 13.2 1.0 CA B:SER117 4.5 14.0 0.5 C25 B:JZE128 4.5 27.6 0.5 CA B:THR119 4.6 13.4 0.4 CA B:SER117 4.6 14.6 0.5 N B:ALA109 4.7 13.3 1.0 CA B:THR119 4.7 12.8 0.6 O B:THR118 4.7 15.6 1.0 CB B:ALA108 4.7 15.3 1.0 CA B:LEU110 4.8 11.7 1.0 OG A:SER115 5.0 18.4 1.0

Chlorine binding site 4 out of 4 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (7 Carbon Linker). within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl128 b:23.6 occ:0.50 CL4 B:JZE128 0.0 23.6 0.5 C24 B:JZE128 1.7 25.6 0.5 C25 B:JZE128 2.7 27.6 0.5 C21 B:JZE128 2.7 25.6 0.5 O4 B:JZE128 3.0 25.9 0.5 C20 B:JZE128 3.7 25.1 0.5 C26 B:JZE128 4.0 29.3 0.5 C22 B:JZE128 4.0 25.6 0.5 C23 B:JZE128 4.5 27.8 0.5 C19 B:JZE128 4.7 23.8 0.5 CD2 B:LEU110 4.9 16.5 1.0

S.E.Kolstoe, P.P.Mangione, V.Bellotti, G.W.Taylor, G.A.Tennent, S.Deroo, A.J.Morrison, A.J.Cobb, A.Coyne, M.G.Mccammon, T.D.Warner, J.Mitchell, R.Gill, M.D.Smith, S.V.Ley, C.V.Robinson, S.P.Wood, M.B.Pepys. Trapping of Palindromic Ligands Within Native Transthyretin Prevents Amyloid Formation. Proc.Natl.Acad.Sci.Usa V. 107 20483 2010.
ISSN: ISSN 0027-8424
PubMed: 21059958
DOI: 10.1073/PNAS.1008255107