Magnesium in PDB 1u9i: Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites

The structure of Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites, PDB code: 1u9i was solved by Y.Xu, T.Mori, R.Pattanayek, S.Pattanayek, M.Egli, C.H.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	132.873, 135.576, 204.951, 90.00, 90.00, 90.00
R / Rfree (%)	25 / 29

The binding sites of Magnesium atom in the Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites (pdb code 1u9i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites, PDB code: 1u9i:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg520 b:21.5 occ:1.00 OG1 A:THR295 1.8 73.8 1.0 O2G A:ATP521 2.2 0.8 1.0 OE2 A:GLU319 2.9 0.6 1.0 CB A:THR295 2.9 73.8 1.0 O3B A:ATP521 3.3 98.6 1.0 PG A:ATP521 3.3 1.0 1.0 CG2 A:THR295 3.3 73.7 1.0 OE1 A:GLU318 3.5 0.2 1.0 O3A A:ATP521 3.7 90.6 1.0 CD A:GLU319 3.9 98.2 1.0 OD2 A:ASP378 4.0 93.5 1.0 OD1 A:ASP378 4.0 84.4 1.0 PB A:ATP521 4.2 87.5 1.0 O2A A:ATP521 4.2 88.3 1.0 O3G A:ATP521 4.2 99.4 1.0 CA A:THR295 4.2 72.6 1.0 CG A:GLU319 4.2 94.5 1.0 CG A:ASP378 4.3 90.0 1.0 NH2 B:ARG459 4.4 89.0 1.0 O1G A:ATP521 4.5 0.3 1.0 N A:THR295 4.6 77.6 1.0 PA A:ATP521 4.6 88.1 1.0 NE B:ARG459 4.6 83.3 1.0 CD A:GLU318 4.6 0.7 1.0 O1B A:ATP521 4.6 85.5 1.0 CZ B:ARG459 4.8 85.2 1.0 CB A:GLU318 4.9 92.8 1.0 OE1 A:GLU319 4.9 94.6 1.0

Magnesium binding site 2 out of 6 in the Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg520 b:75.7 occ:1.00 OE1 B:GLU318 2.6 92.7 1.0 OG1 B:THR295 2.7 41.5 1.0 O3B B:ATP521 2.9 0.2 1.0 OD1 B:ASP378 2.9 76.2 1.0 O2G B:ATP521 3.2 0.2 1.0 PG B:ATP521 3.6 0.4 1.0 CD B:GLU318 3.8 88.3 1.0 O1B B:ATP521 3.8 89.0 1.0 CG B:ASP378 4.0 74.5 1.0 PB B:ATP521 4.0 86.1 1.0 CG2 B:THR413 4.1 90.3 1.0 CB B:THR295 4.1 53.8 1.0 O1G B:ATP521 4.1 0.5 1.0 CE B:LYS294 4.3 65.5 1.0 O3A B:ATP521 4.3 88.1 1.0 N B:THR295 4.3 51.5 1.0 OD2 B:ASP378 4.3 72.0 1.0 OE2 B:GLU318 4.4 89.8 1.0 OG1 B:THR415 4.4 68.1 1.0 NZ B:LYS294 4.5 64.5 1.0 CA B:THR295 4.6 54.6 1.0 CB B:LYS294 4.7 70.0 1.0 CB B:SER379 4.8 79.1 1.0 CG B:GLU318 4.9 85.7 1.0 O3G B:ATP521 4.9 0.7 1.0 CG2 B:THR295 5.0 40.1 1.0

Magnesium binding site 3 out of 6 in the Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg520 b:21.5 occ:1.00 O2G C:ATP521 2.0 0.3 1.0 OG1 C:THR295 2.8 56.3 1.0 O3B C:ATP521 2.9 90.3 1.0 CB C:THR295 3.0 61.0 1.0 PG C:ATP521 3.0 0.5 1.0 OE2 C:GLU319 3.1 89.2 1.0 O3A C:ATP521 3.3 63.2 1.0 OE1 C:GLU318 3.7 78.8 1.0 PB C:ATP521 3.7 63.3 1.0 O3G C:ATP521 3.8 99.3 1.0 O2A C:ATP521 3.9 66.5 1.0 CG2 C:THR295 3.9 49.3 1.0 CA C:THR295 4.1 54.8 1.0 O1G C:ATP521 4.2 92.9 1.0 CD C:GLU319 4.2 81.7 1.0 PA C:ATP521 4.2 63.2 1.0 O1B C:ATP521 4.2 69.8 1.0 OD2 C:ASP378 4.2 64.6 1.0 N C:THR295 4.3 57.0 1.0 OD1 C:ASP378 4.3 59.3 1.0 NH2 D:ARG459 4.4 47.6 1.0 CG C:ASP378 4.6 66.2 1.0 NE D:ARG459 4.7 38.4 1.0 CG C:GLU319 4.8 77.8 1.0 CD C:GLU318 4.9 72.7 1.0 CZ D:ARG459 4.9 47.0 1.0 O2B C:ATP521 5.0 77.7 1.0

Magnesium binding site 4 out of 6 in the Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg520 b:21.5 occ:1.00 O2G D:ATP521 2.1 0.8 1.0 O3B D:ATP521 2.7 78.7 1.0 OG1 D:THR295 2.8 41.7 1.0 CB D:THR295 2.9 56.5 1.0 PG D:ATP521 3.0 91.6 1.0 O3A D:ATP521 3.4 64.7 1.0 OE1 D:GLU318 3.5 81.8 1.0 PB D:ATP521 3.6 61.8 1.0 OE2 D:GLU319 3.7 91.2 1.0 OD1 D:ASP378 3.7 56.2 1.0 CA D:THR295 3.9 55.3 1.0 CG2 D:THR295 4.0 46.8 1.0 O1B D:ATP521 4.0 69.0 1.0 O3G D:ATP521 4.0 97.5 1.0 N D:THR295 4.0 58.8 1.0 O1G D:ATP521 4.1 81.5 1.0 OD2 D:ASP378 4.2 55.6 1.0 CG D:ASP378 4.3 61.4 1.0 O2A D:ATP521 4.5 69.0 1.0 PA D:ATP521 4.6 65.7 1.0 CD D:GLU318 4.7 77.7 1.0 CD D:GLU319 4.9 81.1 1.0 NH2 E:ARG459 4.9 78.8 1.0 O2B D:ATP521 5.0 68.1 1.0

Magnesium binding site 5 out of 6 in the Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg520 b:21.5 occ:1.00 OG1 E:THR295 1.9 62.8 1.0 O2G E:ATP601 2.5 0.7 1.0 OE2 E:GLU319 3.0 99.8 1.0 OE1 E:GLU318 3.0 89.0 1.0 CB E:THR295 3.1 60.4 1.0 CG2 E:THR295 3.5 57.6 1.0 OD2 E:ASP378 3.6 72.6 1.0 O3B E:ATP601 3.6 90.5 1.0 PG E:ATP601 3.6 0.1 1.0 OD1 E:ASP378 3.7 54.5 1.0 CG E:ASP378 3.9 65.7 1.0 CD E:GLU319 4.0 92.4 1.0 O3A E:ATP601 4.1 75.4 1.0 CD E:GLU318 4.2 85.3 1.0 CA E:THR295 4.3 61.0 1.0 CG E:GLU319 4.4 87.7 1.0 PB E:ATP601 4.5 69.1 1.0 NH2 F:ARG459 4.5 78.8 1.0 O3G E:ATP601 4.5 0.3 1.0 CB E:GLU318 4.6 74.9 1.0 N E:THR295 4.6 58.8 1.0 O2A E:ATP601 4.7 72.6 1.0 O1G E:ATP601 4.7 0.0 1.0 O1B E:ATP601 4.9 69.1 1.0 NE F:ARG459 4.9 76.0 1.0 CG E:GLU318 4.9 81.5 1.0

Magnesium binding site 6 out of 6 in the Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg520 b:21.5 occ:1.00 O2G F:ATP701 2.1 0.3 1.0 OG1 F:THR295 2.2 78.5 1.0 O F:HOH726 2.4 21.5 1.0 OE1 F:GLU318 2.7 0.0 1.0 OE2 F:GLU319 3.2 0.2 1.0 PG F:ATP701 3.4 0.1 1.0 O3B F:ATP701 3.5 0.7 1.0 CB F:THR295 3.5 74.1 1.0 OD1 F:ASP378 3.8 72.2 1.0 CD F:GLU318 3.9 0.5 1.0 CG2 F:THR295 3.9 72.5 1.0 OD2 F:ASP378 4.0 77.4 1.0 O F:HOH704 4.0 62.8 1.0 CG F:ASP378 4.2 76.0 1.0 CD F:GLU319 4.2 0.7 1.0 O3A F:ATP701 4.3 90.6 1.0 CB F:GLU318 4.3 91.3 1.0 O1G F:ATP701 4.4 0.5 1.0 NH2 A:ARG459 4.4 75.1 1.0 O3G F:ATP701 4.4 1.0 1.0 CG F:GLU319 4.4 0.5 1.0 PB F:ATP701 4.6 92.8 1.0 CA F:THR295 4.6 71.0 1.0 CG F:GLU318 4.7 95.5 1.0 OE2 F:GLU318 4.7 0.3 1.0 NE A:ARG459 4.9 66.5 1.0 N F:THR295 4.9 70.2 1.0 O2A F:ATP701 4.9 90.4 1.0 CZ A:ARG459 5.0 66.3 1.0

Y.Xu, T.Mori, R.Pattanayek, S.Pattanayek, M.Egli, C.H.Johnson. Identification of Key Phosphorylation Sites in the Circadian Clock Protein Kaic By Crystallographic and Mutagenetic Analyses Proc.Natl.Acad.Sci.Usa V. 101 13933 2004.
ISSN: ISSN 0027-8424
PubMed: 15347809
DOI: 10.1073/PNAS.0404768101