Chlorine in PDB 4y9b: Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin

The structure of Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin, PDB code: 4y9b 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)	27.60 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.633, 85.365, 64.703, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.5

The structure of Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin (pdb code 4y9b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin, PDB code: 4y9b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- 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 Alpha- Mangostin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:37.9 occ:0.50 CE A:LYS15 3.8 25.2 1.0 CAM A:MKS200 3.8 16.7 0.5 NZ A:LYS15 4.3 30.0 1.0 CD1 A:LEU17 4.3 13.1 1.0 OAH A:MKS200 4.5 16.7 0.5 CAU A:MKS200 4.6 15.9 0.5 OAQ A:MKS200 4.6 16.7 0.5 CBB A:MKS200 4.8 16.4 0.5 CG A:LEU17 5.0 11.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- 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 Alpha- Mangostin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:39.3 occ:0.50 CAM B:MKS200 3.6 16.6 0.5 CG2 B:THR106 4.0 18.8 1.0 CG2 B:VAL121 4.1 15.5 1.0 CB B:VAL121 4.3 13.9 1.0 CB B:THR106 4.3 15.5 1.0 OAH B:MKS200 4.4 15.8 0.5 OAQ B:MKS200 4.4 16.6 0.5 CAU B:MKS200 4.5 16.1 0.5 CBB B:MKS200 4.6 16.2 0.5 CG1 B:VAL121 4.6 15.1 1.0 OG1 B:THR106 4.8 18.7 1.0

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