Chlorine in PDB 4his: The Structure of V122I Mutant Transthyretin in Complex with Tafamidis

The structure of The Structure of V122I Mutant Transthyretin in Complex with Tafamidis, PDB code: 4his was solved by S.Connelly, M.Alhamadsheh, I.Graef, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.32 / 1.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.673, 84.601, 64.317, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17.2

The binding sites of Chlorine atom in the The Structure of V122I Mutant Transthyretin in Complex with Tafamidis (pdb code 4his). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of V122I Mutant Transthyretin in Complex with Tafamidis, PDB code: 4his:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Structure of V122I Mutant Transthyretin in Complex with Tafamidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of V122I Mutant Transthyretin in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:13.9 occ:0.50 CLC A:3MI201 0.0 13.9 0.5 CAN A:3MI201 1.7 11.2 0.5 CAG A:3MI201 2.7 10.8 0.5 CAH A:3MI201 2.7 11.8 0.5 O A:SER117 3.5 9.9 1.0 OG A:SER117 3.6 16.0 0.5 C A:SER117 3.6 9.3 1.0 CA A:THR118 3.6 10.3 0.5 CB A:SER117 3.6 10.3 0.5 N A:THR118 3.6 9.8 1.0 CA A:THR118 3.7 10.0 0.5 C A:THR118 3.7 10.4 1.0 N A:THR119 3.8 10.4 1.0 CB A:SER117 3.9 11.6 0.5 CAO A:3MI201 4.0 11.3 0.5 CAQ A:3MI201 4.0 12.7 0.5 O A:ALA108 4.1 12.4 1.0 CG2 A:THR119 4.1 12.0 1.0 N A:LEU110 4.2 8.9 1.0 O A:THR118 4.2 12.5 1.0 CB A:LEU110 4.3 10.1 1.0 CA A:SER117 4.3 9.6 0.5 CB A:THR119 4.3 10.5 1.0 CA A:SER117 4.3 10.4 0.5 CA A:ALA109 4.4 10.5 1.0 O A:HOH354 4.4 24.0 0.5 CAI A:3MI201 4.5 11.9 0.5 C A:ALA108 4.5 11.0 1.0 C A:ALA109 4.5 9.9 1.0 CA A:THR119 4.7 9.7 1.0 N A:ALA109 4.7 11.2 1.0 OG A:SER117 4.9 9.7 0.5 CA A:LEU110 4.9 8.3 1.0

Chlorine binding site 2 out of 2 in the The Structure of V122I Mutant Transthyretin in Complex with Tafamidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of V122I Mutant Transthyretin in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.0 occ:0.50 CLD A:3MI201 0.0 14.0 0.5 CAO A:3MI201 1.7 11.3 0.5 CAG A:3MI201 2.7 10.8 0.5 CAI A:3MI201 2.7 11.9 0.5 CD2 A:LEU110 3.9 13.7 1.0 CAN A:3MI201 4.0 11.2 0.5 CAQ A:3MI201 4.0 12.7 0.5 O A:HOH354 4.4 24.0 0.5 CAH A:3MI201 4.5 11.8 0.5

S.C.Penchala, S.Connelly, Y.Wang, M.S.Park, L.Zhao, A.Baranczak, I.Rappley, H.Vogel, M.Liedtke, R.M.Witteles, E.T.Powers, N.Reixach, W.K.Chan, I.A.Wilson, J.W.Kelly, I.A.Graef, M.M.Alhamadsheh. AG10 Inhibits Amyloidogenesis and Cellular Toxicity of the Familial Amyloid Cardiomyopathy-Associated V122I Transthyretin. Proc.Natl.Acad.Sci.Usa V. 110 9992 2013.
ISSN: ISSN 0027-8424
PubMed: 23716704
DOI: 10.1073/PNAS.1300761110