Chlorine in PDB 8yqd: Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis

The structure of Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis, PDB code: 8yqd was solved by S.R.Tzeng, C.H.Huang, Y.S.Wang, M.F.Hsieh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.25 / 1.69
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.303, 42.606, 63.774, 90, 90, 90
R / Rfree (%)	19.7 / 22.5

The binding sites of Chlorine atom in the Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis (pdb code 8yqd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis, PDB code: 8yqd:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human Transthyretin Variant A97S 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 Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl200 b:27.0 occ:0.40 CLC A:3MI200 0.0 27.0 0.4 CAN A:3MI200 1.7 29.5 0.4 CAH A:3MI200 2.7 30.1 0.4 CAG A:3MI200 2.7 29.3 0.4 CAQ A:3MI200 4.0 29.8 0.4 CAO A:3MI200 4.0 29.4 0.4 CD2 A:LEU110 4.3 29.1 1.0 CAI A:3MI200 4.5 29.4 0.4 O A:HOH310 4.6 31.7 0.5

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Transthyretin Variant A97S 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 Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl200 b:27.5 occ:0.40 CLD A:3MI200 0.0 27.5 0.4 CAO A:3MI200 1.8 29.4 0.4 CAG A:3MI200 2.7 29.3 0.4 CAI A:3MI200 2.7 29.4 0.4 CB A:SER117 3.6 28.4 1.0 C A:SER117 3.7 27.3 1.0 O A:SER117 3.7 27.5 1.0 N A:THR118 3.8 26.9 1.0 C A:THR118 3.8 28.5 1.0 CA A:THR118 3.8 25.9 1.0 N A:THR119 3.9 27.9 1.0 CAN A:3MI200 4.0 29.5 0.4 CG2 A:THR119 4.0 28.7 1.0 CAQ A:3MI200 4.0 29.8 0.4 CB A:THR119 4.1 28.6 1.0 CA A:SER117 4.3 28.0 1.0 O A:ALA108 4.3 27.5 1.0 O A:THR118 4.3 29.6 1.0 CB A:LEU110 4.3 25.4 1.0 N A:LEU110 4.4 23.9 1.0 O A:HOH310 4.5 31.7 0.5 CAH A:3MI200 4.5 30.1 0.4 CA A:THR119 4.6 26.9 1.0 OG B:SER115 4.7 30.6 1.0 OG A:SER117 4.7 34.8 1.0 CA A:ALA109 4.8 25.8 1.0 C A:ALA108 4.8 27.6 1.0 C A:ALA109 4.8 28.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl200 b:24.7 occ:0.42 CLC B:3MI200 0.0 24.7 0.4 CAN B:3MI200 1.7 26.4 0.4 CAH B:3MI200 2.6 27.9 0.4 CAG B:3MI200 2.7 26.6 0.4 O B:SER117 3.4 25.9 1.0 C B:SER117 3.6 24.8 1.0 CA B:THR118 3.6 24.2 1.0 N B:THR118 3.7 24.4 1.0 N B:THR119 3.7 23.8 1.0 C B:THR118 3.8 25.2 1.0 O B:ALA108 3.8 25.8 1.0 CB B:SER117 3.9 27.5 1.0 CAQ B:3MI200 3.9 26.6 0.4 CG2 B:THR119 3.9 26.9 1.0 N B:LEU110 4.0 22.9 1.0 CAO B:3MI200 4.0 26.3 0.4 CB B:LEU110 4.1 25.5 1.0 C B:ALA108 4.2 24.9 1.0 CB B:THR119 4.3 26.8 1.0 CA B:ALA109 4.3 24.2 1.0 C B:ALA109 4.3 26.0 1.0 CA B:SER117 4.4 27.3 1.0 N B:ALA109 4.4 25.1 1.0 O B:THR118 4.5 27.5 1.0 CAI B:3MI200 4.5 27.9 0.4 O B:HOH329 4.5 30.9 0.4 CA B:THR119 4.6 24.9 1.0 CA B:LEU110 4.7 25.0 1.0 CB B:ALA108 4.8 27.8 1.0 CAR B:3MI200 5.0 28.5 0.4

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Transthyretin Variant A97S in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl200 b:24.0 occ:0.42 CLD B:3MI200 0.0 24.0 0.4 CAO B:3MI200 1.8 26.3 0.4 CAG B:3MI200 2.7 26.6 0.4 CAI B:3MI200 2.8 27.9 0.4 CD2 B:LEU110 3.7 27.4 1.0 O B:HOH329 4.0 30.9 0.4 CAN B:3MI200 4.0 26.4 0.4 CAQ B:3MI200 4.1 26.6 0.4 CAH B:3MI200 4.6 27.9 0.4 CG B:LEU110 4.9 24.8 1.0

C.C.Chao, S.R.Tzeng, M.C.Chiang, H.W.Hsueh, W.J.Hsieh, Y.C.Chao, M.F.Cheng, Y.H.Lin, M.Y.Su, C.H.Huang, Y.S.Wang, M.F.Hsieh, P.H.Tseng, S.T.Hsieh. Diflunisal Versus Tafamidis on Neuropathy and Cardiomyopathy in Hereditary Transthyretin Amyloidosis. Ann Clin Transl Neurol V. 11 2426 2024.
ISSN: ISSN 2328-9503
PubMed: 39096004
DOI: 10.1002/ACN3.52158