Magnesium in PDB 6wtb: Sort-Tagged Drosophila Cryptochrome

The structure of Sort-Tagged Drosophila Cryptochrome, PDB code: 6wtb was solved by C.M.Schneps, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.00 / 2.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.979, 122.186, 81.954, 90, 115.48, 90
R / Rfree (%)	23.4 / 28.8

The binding sites of Magnesium atom in the Sort-Tagged Drosophila Cryptochrome (pdb code 6wtb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Sort-Tagged Drosophila Cryptochrome, PDB code: 6wtb:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Sort-Tagged Drosophila Cryptochrome


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Sort-Tagged Drosophila Cryptochrome within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:48.8 occ:1.00 N A:MET266 2.6 38.7 1.0 O1P A:FAD602 2.7 39.8 1.0 NH2 A:ARG237 3.3 60.4 1.0 CB A:MET266 3.4 49.5 1.0 CE A:MET266 3.4 43.1 1.0 CA A:MET266 3.4 35.8 1.0 C A:SER265 3.5 51.0 1.0 CA A:SER265 3.6 47.3 1.0 O1A A:FAD602 3.6 42.9 1.0 O3B A:FAD602 3.7 39.2 1.0 OG A:SER265 3.8 53.7 1.0 P A:FAD602 3.9 42.3 1.0 CG A:MET266 3.9 52.0 1.0 O2P A:FAD602 4.0 46.1 1.0 C A:MET266 4.0 43.7 1.0 N A:SER267 4.1 35.9 1.0 CZ A:ARG237 4.2 64.2 1.0 O A:LYS264 4.3 56.3 1.0 CB A:SER265 4.3 48.9 1.0 C5B A:FAD602 4.4 37.6 1.0 SD A:MET266 4.5 60.1 1.0 PA A:FAD602 4.6 37.8 1.0 O A:SER265 4.6 50.5 1.0 C3B A:FAD602 4.7 43.3 1.0 O5B A:FAD602 4.7 43.4 1.0 O3P A:FAD602 4.7 43.3 1.0 N A:SER265 4.7 54.1 1.0 NE A:ARG237 4.8 67.6 1.0 C4B A:FAD602 4.8 37.5 1.0 C A:LYS264 4.9 60.2 1.0 O A:MET266 4.9 50.0 1.0 CE2 A:PHE280 5.0 41.1 1.0

Magnesium binding site 2 out of 3 in the Sort-Tagged Drosophila Cryptochrome


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Sort-Tagged Drosophila Cryptochrome within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:65.1 occ:1.00 CB A:ALA538 2.5 78.4 1.0 OD2 B:ASP539 2.9 71.2 1.0 CG B:ASP539 3.9 79.6 1.0 CA A:ALA538 4.0 87.1 1.0 OD1 B:ASP539 4.3 90.7 1.0 O A:ALA538 4.4 85.1 1.0 C A:ALA538 4.5 88.2 1.0 N A:ALA538 4.8 78.0 1.0

Magnesium binding site 3 out of 3 in the Sort-Tagged Drosophila Cryptochrome


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Sort-Tagged Drosophila Cryptochrome within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:45.9 occ:1.00 N B:MET266 2.6 42.5 1.0 O1P B:FAD603 2.8 39.4 1.0 CB B:MET266 3.4 41.7 1.0 C B:SER265 3.4 51.0 1.0 CA B:SER265 3.4 52.0 1.0 CA B:MET266 3.4 36.9 1.0 CE B:MET266 3.5 51.2 1.0 NH1 B:ARG237 3.5 45.8 1.0 OG B:SER265 3.7 44.0 1.0 O1A B:FAD603 3.7 40.1 1.0 O2P B:FAD603 3.8 41.7 1.0 P B:FAD603 3.8 45.0 1.0 CG B:MET266 3.9 49.8 1.0 C B:MET266 4.0 40.5 1.0 O3B B:FAD603 4.1 39.4 1.0 CB B:SER265 4.1 46.8 1.0 N B:SER267 4.1 36.1 1.0 O B:LYS264 4.2 60.8 1.0 SD B:MET266 4.5 53.9 1.0 C5B B:FAD603 4.5 32.5 1.0 N B:SER265 4.6 53.1 1.0 O B:SER265 4.6 48.9 1.0 PA B:FAD603 4.7 39.7 1.0 O3P B:FAD603 4.7 49.0 1.0 CZ B:ARG237 4.8 55.0 1.0 O5B B:FAD603 4.8 44.8 1.0 C B:LYS264 4.8 58.1 1.0 CE1 B:PHE280 4.8 41.4 1.0 O B:MET266 4.9 43.9 1.0 C3B B:FAD603 4.9 41.5 1.0

S.Chandrasekaran, C.M.Schneps, R.Dunleavy, A.Ganguly, B.R.Crane. Conformational Switching Within the Circadian Light Sensor Cryptochrome To Be Published.