Chlorine in PDB 7w9r: Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-18

The structure of Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-18, PDB code: 7w9r 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)	29.95 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.766, 84.477, 64.071, 90, 90, 90
R / Rfree (%)	17.5 / 22.5

The binding sites of Chlorine atom in the Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-18 (pdb code 7w9r). 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-Ttr in Complex with Naringenin Derivative-18, PDB code: 7w9r:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-18


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-18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:57.6 occ:0.50 CLS A:91C201 0.0 57.6 0.5 CAO A:91C201 1.8 45.5 0.5 CAP A:91C201 2.7 40.0 0.5 CAN A:91C201 2.8 43.8 0.5 OAR A:91C201 2.9 41.9 0.5 NZ A:LYS15 3.5 64.6 1.0 CE A:LYS15 3.7 54.9 1.0 CAQ A:91C201 4.0 45.4 0.5 CAL A:91C201 4.0 42.2 0.5 CD A:LYS15 4.3 46.4 1.0 CAM A:91C201 4.5 43.4 0.5 CD1 A:LEU17 4.9 35.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-18


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-18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:58.7 occ:0.50 CLV A:91C201 0.0 58.7 0.5 CAQ A:91C201 1.7 45.4 0.5 CAM A:91C201 2.7 43.4 0.5 CAP A:91C201 2.7 40.0 0.5 OAR A:91C201 3.0 41.9 0.5 CAL A:91C201 4.0 42.2 0.5 CAO A:91C201 4.0 45.5 0.5 CG2 A:THR106 4.1 38.8 1.0 CB A:ALA108 4.4 27.7 1.0 CAN A:91C201 4.6 43.8 0.5 CG2 A:VAL121 4.8 40.1 1.0 CD A:LYS15 4.9 46.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-18


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-Ttr in Complex with Naringenin Derivative-18 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:55.1 occ:0.50 CLS B:91C201 0.0 55.1 0.5 CAO B:91C201 1.8 45.7 0.5 CAP B:91C201 2.7 40.6 0.5 CAN B:91C201 2.8 40.6 0.5 OAR B:91C201 2.9 42.0 0.5 O B:HOH311 3.9 64.0 1.0 CAQ B:91C201 4.1 45.5 0.5 CAL B:91C201 4.1 38.8 0.5 CG2 B:THR106 4.1 36.7 1.0 CD B:LYS15 4.2 51.8 1.0 CAM B:91C201 4.6 39.7 0.5 CB B:LYS15 4.9 38.5 1.0 CG2 B:VAL121 4.9 42.4 1.0 CG B:LYS15 4.9 42.0 1.0 CB B:ALA108 5.0 33.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of V30M-Ttr in Complex with Naringenin Derivative-18


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-Ttr in Complex with Naringenin Derivative-18 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:56.1 occ:0.50 CLV B:91C201 0.0 56.1 0.5 CAQ B:91C201 1.8 45.5 0.5 CAM B:91C201 2.7 39.7 0.5 CAP B:91C201 2.7 40.6 0.5 OAR B:91C201 3.0 42.0 0.5 CAL B:91C201 4.0 38.8 0.5 CAO B:91C201 4.0 45.7 0.5 CE B:LYS15 4.1 55.9 1.0 CD1 B:LEU17 4.1 46.0 1.0 NZ B:LYS15 4.2 58.4 1.0 CAN B:91C201 4.6 40.6 0.5 CD2 B:LEU17 4.7 31.9 1.0 CD B:LYS15 5.0 51.8 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.