Chlorine in PDB 7w9q: Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-14

The structure of Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-14, PDB code: 7w9q was solved by W.Katayama, A.Shimane, Y.Nabeshima, T.Yokoyama, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.51 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.378, 85.38, 63.957, 90, 90, 90
R / Rfree (%)	18.7 / 20.1

The structure of Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-14 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-14 (pdb code 7w9q). 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-Ttr in Complex with Naringenin Derivative-14, PDB code: 7w9q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-14


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-Ttr in Complex with Naringenin Derivative-14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:30.4 occ:0.50 CLA A:90Q201 0.0 30.4 0.5 CAR A:90Q201 1.7 27.5 0.5 CAP A:90Q201 2.7 30.5 0.5 CAS A:90Q201 2.7 27.2 0.5 OAT A:90Q201 2.9 28.8 0.5 O A:SER117 3.2 25.9 1.0 C A:SER117 3.3 26.0 1.0 N A:THR118 3.6 21.1 1.0 CA A:THR118 3.6 20.5 1.0 CB A:SER117 3.6 25.2 1.0 N A:LEU110 3.8 17.5 1.0 O A:ALA108 3.8 24.2 1.0 N A:THR119 3.8 20.2 1.0 C A:THR118 3.8 21.4 1.0 CB A:LEU110 3.9 19.0 1.0 CAN A:90Q201 4.0 31.5 0.5 CAQ A:90Q201 4.0 26.7 0.5 CA A:SER117 4.1 22.2 1.0 C A:ALA108 4.2 22.7 1.0 CA A:ALA109 4.3 19.2 1.0 C A:ALA109 4.3 22.2 1.0 CG2 A:THR119 4.4 26.8 1.0 CB A:THR119 4.4 24.3 1.0 N A:ALA109 4.5 19.5 1.0 CA A:LEU110 4.5 17.8 1.0 CAO A:90Q201 4.5 28.1 0.5 O A:THR118 4.6 23.4 1.0 CB A:ALA108 4.6 22.1 1.0 CA A:THR119 4.7 18.5 1.0 OG A:SER117 4.9 37.9 1.0 N A:SER117 5.0 20.6 1.0 OAG A:90Q201 5.0 34.9 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-14


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-Ttr in Complex with Naringenin Derivative-14 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:30.9 occ:0.50 CLA B:90Q201 0.0 30.9 0.5 CAR B:90Q201 1.8 26.6 0.5 CAP B:90Q201 2.8 28.9 0.5 CAS B:90Q201 2.8 25.1 0.5 OAT B:90Q201 3.0 26.8 0.5 O B:SER117 3.2 26.2 1.0 C B:SER117 3.4 22.6 1.0 N B:THR118 3.6 19.5 1.0 CB B:SER117 3.6 27.1 1.0 CA B:THR118 3.7 21.2 1.0 N B:THR119 3.8 20.6 1.0 C B:THR118 3.8 22.5 1.0 N B:LEU110 3.9 17.1 1.0 O B:ALA108 3.9 23.1 1.0 CB B:LEU110 4.0 20.1 1.0 CAN B:90Q201 4.1 28.0 0.5 CAQ B:90Q201 4.1 26.7 0.5 CA B:SER117 4.2 20.9 1.0 CG2 B:THR119 4.2 26.7 1.0 C B:ALA108 4.3 21.4 1.0 CB B:THR119 4.4 25.1 1.0 CA B:ALA109 4.4 20.6 1.0 C B:ALA109 4.4 21.2 1.0 O B:THR118 4.5 23.5 1.0 N B:ALA109 4.6 19.2 1.0 CAO B:90Q201 4.6 27.9 0.5 CA B:LEU110 4.6 18.1 1.0 CA B:THR119 4.7 19.4 1.0 CB B:ALA108 4.8 24.7 1.0 OG B:SER117 4.9 33.8 1.0

W.Katayama, K.Imui, Y.Nakagawa, Y.Sawai, A.Shimane, R.Kitakami, T.Okada, Y.Nabeshima, T.Yokoyama, K.Kanamitsu, S.Nakagawa, N.Toyooka, M.Mizuguchi. Inhibitory Activities of Naringenin Derivatives Against Transthyretin Amyloidogenesis To Be Published.