Chlorine in PDB 6kx8: Crystal Structure of Mouse Cryptochrome 2 in Complex with TH301 Compound

The structure of Crystal Structure of Mouse Cryptochrome 2 in Complex with TH301 Compound, PDB code: 6kx8 was solved by S.A.Miller, Y.Aikawa, T.Hirota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.08 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.171, 120.250, 69.392, 90.00, 95.21, 90.00
R / Rfree (%)	18.5 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of Mouse Cryptochrome 2 in Complex with TH301 Compound (pdb code 6kx8). 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 Mouse Cryptochrome 2 in Complex with TH301 Compound, PDB code: 6kx8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mouse Cryptochrome 2 in Complex with TH301 Compound


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 Mouse Cryptochrome 2 in Complex with TH301 Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:50.2 occ:1.00 CL1 A:DYX601 0.0 50.2 1.0 C30 A:DYX601 1.8 50.8 1.0 C29 A:DYX601 2.7 50.4 1.0 C31 A:DYX601 2.8 50.8 1.0 N A:HIS377 3.3 33.1 1.0 CA A:HIS377 3.4 36.8 1.0 C A:ARG376 3.5 30.4 1.0 O A:ARG376 3.7 23.7 1.0 CG A:HIS377 3.8 53.9 1.0 C16 A:DYX601 3.8 39.9 1.0 C11 A:DYX601 3.8 40.2 1.0 CD2 A:HIS377 3.8 56.7 1.0 CB A:LEU418 3.9 34.4 1.0 CB A:ARG376 3.9 28.0 1.0 C28 A:DYX601 4.0 48.5 1.0 C32 A:DYX601 4.1 49.6 1.0 ND1 A:HIS377 4.1 57.5 1.0 NE2 A:HIS377 4.2 57.4 1.0 CB A:HIS377 4.2 43.1 1.0 CE1 A:HIS377 4.3 58.1 1.0 CA A:ARG376 4.4 28.2 1.0 CB A:ALA380 4.4 24.7 1.0 O A:HIS373 4.5 30.3 1.0 C27 A:DYX601 4.6 47.5 1.0 C10 A:DYX601 4.6 40.6 1.0 O15 A:DYX601 4.6 40.4 1.0 C A:HIS377 4.7 32.3 1.0 C12 A:DYX601 4.7 39.5 1.0 O A:HIS377 5.0 30.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mouse Cryptochrome 2 in Complex with TH301 Compound


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 Mouse Cryptochrome 2 in Complex with TH301 Compound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:30.7 occ:1.00 CL1 B:DYX601 0.0 30.7 1.0 C30 B:DYX601 1.8 26.7 1.0 C31 B:DYX601 2.8 26.3 1.0 C29 B:DYX601 2.8 24.6 1.0 N B:HIS377 3.3 23.5 1.0 CA B:HIS377 3.5 26.6 1.0 CD2 B:HIS377 3.5 53.0 1.0 CG B:HIS377 3.6 48.1 1.0 C B:ARG376 3.6 27.0 1.0 C16 B:DYX601 3.7 28.0 1.0 C13 B:DYX601 3.8 25.2 1.0 O B:ARG376 3.9 24.1 1.0 NE2 B:HIS377 3.9 52.8 1.0 CB B:ARG376 3.9 20.5 1.0 CG B:LEU418 4.0 38.7 1.0 C32 B:DYX601 4.1 26.6 1.0 C28 B:DYX601 4.1 25.6 1.0 CD2 B:LEU418 4.1 40.4 1.0 CB B:HIS377 4.1 33.2 1.0 ND1 B:HIS377 4.1 53.3 1.0 O B:HIS373 4.2 32.6 1.0 CE1 B:HIS377 4.2 55.0 1.0 CA B:ARG376 4.4 24.1 1.0 CB B:LEU418 4.4 34.5 1.0 C27 B:DYX601 4.6 26.9 1.0 C14 B:DYX601 4.6 26.1 1.0 O15 B:DYX601 4.7 27.6 1.0 C12 B:DYX601 4.8 26.8 1.0 CB B:ALA380 4.8 25.1 1.0 C B:HIS377 4.8 26.0 1.0

S.A.Miller, Y.L.Son, Y.Aikawa, E.Makino, Y.Nagai, A.Srivastava, T.Oshima, A.Sugiyama, A.Hara, K.Abe, K.Hirata, S.Oishi, S.Hagihara, A.Sato, F.Tama, K.Itami, S.A.Kay, M.Hatori, T.Hirota. Isoform Selective Regulation of Mammalian Cryptochromes Nat.Chem.Biol. 2020.
ISSN: ESSN 1552-4469