Chlorine in PDB 4y9e: Crystal Structure of V30M Mutated Transthyretin in Complex with Gamma- Mangostin

The structure of Crystal Structure of V30M Mutated Transthyretin in Complex with Gamma- Mangostin, PDB code: 4y9e was solved by T.Yokoyama, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.15 / 1.49
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.415, 85.806, 64.073, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of V30M Mutated Transthyretin in Complex with Gamma- Mangostin (pdb code 4y9e). 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 V30M Mutated Transthyretin in Complex with Gamma- Mangostin, PDB code: 4y9e:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of V30M Mutated Transthyretin in Complex with Gamma- Mangostin


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 V30M Mutated Transthyretin in Complex with Gamma- Mangostin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:22.1 occ:0.50 OAH A:MKT200 3.1 22.7 0.5 CAC A:MKT200 3.7 18.4 0.5 CAU A:MKT200 4.3 22.4 0.5 CAO A:MKT200 4.3 19.0 0.5 CD2 A:LEU110 4.5 14.3 1.0 CAX A:MKT200 4.8 20.8 0.5 CAR A:MKT200 4.9 18.6 0.5

Chlorine binding site 2 out of 4 in the Crystal Structure of V30M Mutated Transthyretin in Complex with Gamma- Mangostin


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 V30M Mutated Transthyretin in Complex with Gamma- Mangostin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:39.4 occ:0.50 CE A:LYS15 3.8 28.1 1.0 NZ A:LYS15 4.1 34.1 1.0 CAL A:MKT200 4.2 23.6 0.5 CD2 A:LEU17 4.2 11.8 0.5 CD1 A:LEU17 4.5 10.4 0.5 CD1 A:LEU17 4.7 13.7 0.5 OAP A:MKT200 4.7 22.6 0.5 OAF A:MKT200 5.0 23.7 0.5

Chlorine binding site 3 out of 4 in the Crystal Structure of V30M Mutated Transthyretin in Complex with Gamma- Mangostin


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 V30M Mutated Transthyretin in Complex with Gamma- Mangostin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:21.4 occ:0.50 OAH B:MKT200 3.0 23.6 0.5 OG B:SER117 3.0 12.9 0.5 OG1 B:THR119 3.0 11.7 0.5 O B:SER117 3.2 12.6 1.0 C B:SER117 3.4 12.8 1.0 CAC B:MKT200 3.5 19.5 0.5 CA B:THR118 3.5 12.5 0.6 N B:THR119 3.6 12.3 1.0 CA B:THR118 3.6 13.8 0.4 N B:THR118 3.6 12.1 1.0 O B:ALA108 3.6 15.7 1.0 C B:THR118 3.7 14.3 1.0 CB B:SER117 3.7 14.4 0.5 CB B:THR119 3.8 12.0 0.5 CB B:SER117 3.9 13.0 0.5 N B:LEU110 3.9 9.2 1.0 C B:ALA108 4.0 13.7 1.0 CAU B:MKT200 4.1 22.8 0.5 CB B:LEU110 4.1 10.2 1.0 CG2 B:THR119 4.1 13.8 0.5 CB B:THR119 4.2 12.8 0.5 CAO B:MKT200 4.2 21.1 0.5 CA B:SER117 4.2 12.1 0.5 CA B:ALA109 4.2 11.2 1.0 CA B:SER117 4.3 11.6 0.5 C B:ALA109 4.3 11.2 1.0 N B:ALA109 4.3 10.8 1.0 CA B:THR119 4.4 12.0 0.5 CA B:THR119 4.4 12.4 0.5 O B:THR118 4.5 15.5 1.0 CB B:ALA108 4.5 14.9 1.0 CAX B:MKT200 4.6 22.1 0.5 CAR B:MKT200 4.7 20.3 0.5 CA B:LEU110 4.7 9.8 1.0 CAK B:MKT200 4.9 22.4 0.5 CB B:THR118 4.9 12.3 0.6 CA B:ALA108 4.9 12.5 1.0 OG A:SER115 4.9 15.0 1.0 OG B:SER117 5.0 15.5 0.5

Chlorine binding site 4 out of 4 in the Crystal Structure of V30M Mutated Transthyretin in Complex with Gamma- Mangostin


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 V30M Mutated Transthyretin in Complex with Gamma- Mangostin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:43.2 occ:0.50 CAL B:MKT200 3.8 23.3 0.5 OAP B:MKT200 4.1 23.1 0.5 CG2 B:VAL121 4.2 19.2 1.0 CG2 B:THR106 4.4 20.4 1.0 CB B:VAL121 4.4 16.0 1.0 CBA B:MKT200 4.5 22.4 0.5 CG1 B:VAL121 4.6 18.5 1.0 CB B:THR106 4.7 16.6 1.0 CAS B:MKT200 4.8 22.8 0.5 OAF B:MKT200 4.9 23.8 0.5

T.Yokoyama, M.Ueda, Y.Ando, M.Mizuguchi. Discovery of Gamma-Mangostin As An Amyloidogenesis Inhibitor Sci Rep V. 5 13570 2015.
ISSN: ESSN 2045-2322
PubMed: 26310724
DOI: 10.1038/SREP13570