Chlorine in PDB 6e72: Structure of Human Transthyretin VAL30MET Mutant in Complex with Tafamidis

The structure of Structure of Human Transthyretin VAL30MET Mutant in Complex with Tafamidis, PDB code: 6e72 was solved by K.Chung, L.Saelices, M.R.Sawaya, D.Cascio, D.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.83 / 1.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.040, 85.240, 63.890, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.5

The binding sites of Chlorine atom in the Structure of Human Transthyretin VAL30MET Mutant in Complex with Tafamidis (pdb code 6e72). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Human Transthyretin VAL30MET Mutant in Complex with Tafamidis, PDB code: 6e72:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Human Transthyretin VAL30MET Mutant 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 Structure of Human Transthyretin VAL30MET Mutant in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.0 occ:0.50 CLC A:3MI201 0.0 18.0 0.5 CAN A:3MI201 1.7 18.0 0.5 CAH A:3MI201 2.6 20.0 0.5 CAG A:3MI201 2.7 18.1 0.5 O A:SER117 3.5 17.9 1.0 C A:SER117 3.6 18.2 1.0 CA A:THR118 3.7 16.5 1.0 N A:THR118 3.7 16.1 1.0 N A:THR119 3.8 16.0 1.0 C A:THR118 3.9 19.1 1.0 CB A:SER117 3.9 19.8 1.0 O A:ALA108 3.9 19.7 1.0 CAQ A:3MI201 3.9 19.0 0.5 CAO A:3MI201 4.0 18.5 0.5 N A:LEU110 4.0 16.7 1.0 CG2 A:THR119 4.1 21.4 1.0 CB A:LEU110 4.1 17.2 1.0 CA A:ALA109 4.3 18.8 1.0 CB A:THR119 4.3 19.2 1.0 C A:ALA108 4.3 18.9 1.0 C A:ALA109 4.4 19.2 1.0 CA A:SER117 4.4 17.6 1.0 CAI A:3MI201 4.5 17.6 0.5 O A:THR118 4.5 19.1 1.0 N A:ALA109 4.5 17.4 1.0 CA A:THR119 4.7 15.4 1.0 CA A:LEU110 4.7 16.6 1.0 CB A:ALA108 4.8 19.7 1.0

Chlorine binding site 2 out of 4 in the Structure of Human Transthyretin VAL30MET Mutant 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 Structure of Human Transthyretin VAL30MET Mutant in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.8 occ:0.50 CLD A:3MI201 0.0 20.8 0.5 CAO A:3MI201 1.8 18.5 0.5 CAG A:3MI201 2.7 18.1 0.5 CAI A:3MI201 2.8 17.6 0.5 CD2 A:LEU110 3.7 21.2 1.0 CAN A:3MI201 4.0 18.0 0.5 CAQ A:3MI201 4.0 19.0 0.5 CAH A:3MI201 4.5 20.0 0.5 CG A:LEU110 5.0 19.0 1.0

Chlorine binding site 3 out of 4 in the Structure of Human Transthyretin VAL30MET Mutant 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 Structure of Human Transthyretin VAL30MET Mutant in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:18.9 occ:0.50 CLC B:3MI201 0.0 18.9 0.5 CAN B:3MI201 1.8 19.5 0.5 CAH B:3MI201 2.7 19.9 0.5 CAG B:3MI201 2.7 20.8 0.5 O B:SER117 3.4 18.1 1.0 C B:SER117 3.6 18.4 1.0 CA B:THR118 3.7 15.4 1.0 N B:THR118 3.8 16.6 1.0 CB B:SER117 3.8 20.0 1.0 C B:THR118 3.8 19.8 1.0 N B:THR119 3.8 17.3 1.0 O B:ALA108 3.9 18.7 1.0 CAQ B:3MI201 3.9 19.0 0.5 CAO B:3MI201 4.0 20.6 0.5 N B:LEU110 4.0 16.5 1.0 CB B:LEU110 4.1 16.7 1.0 CG2 B:THR119 4.1 19.5 1.0 C B:ALA108 4.3 19.2 1.0 CB B:THR119 4.3 19.4 1.0 CA B:ALA109 4.3 17.0 1.0 CA B:SER117 4.4 16.8 1.0 C B:ALA109 4.4 19.3 1.0 CAI B:3MI201 4.5 19.1 0.5 O B:THR118 4.5 20.1 1.0 N B:ALA109 4.5 17.4 1.0 CB B:ALA108 4.7 19.9 1.0 CA B:THR119 4.7 16.7 1.0 CA B:LEU110 4.7 16.1 1.0

Chlorine binding site 4 out of 4 in the Structure of Human Transthyretin VAL30MET Mutant 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 Structure of Human Transthyretin VAL30MET Mutant in Complex with Tafamidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:20.7 occ:0.50 CLD B:3MI201 0.0 20.7 0.5 CAO B:3MI201 1.8 20.6 0.5 CAG B:3MI201 2.7 20.8 0.5 CAI B:3MI201 2.7 19.1 0.5 CD2 B:LEU110 3.7 20.6 1.0 CAN B:3MI201 4.0 19.5 0.5 CAQ B:3MI201 4.0 19.0 0.5 CAH B:3MI201 4.5 19.9 0.5

L.Saelices, K.Chung, S.Esswein, J.Chou, W.Liang, J.H.Li, M.R.Sawaya, D.Cascio, D.Eisenberg. Structural Variants of Transthyretin To Be Published.