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Magnesium in PDB 2gbl: Crystal Structure of Full Length Circadian Clock Protein Kaic with Phosphorylation Sites

Enzymatic activity of Crystal Structure of Full Length Circadian Clock Protein Kaic with Phosphorylation Sites

All present enzymatic activity of Crystal Structure of Full Length Circadian Clock Protein Kaic with Phosphorylation Sites:
2.7.1.37;

Protein crystallography data

The structure of Crystal Structure of Full Length Circadian Clock Protein Kaic with Phosphorylation Sites, PDB code: 2gbl was solved by R.Pattanayek, D.R.Williams, S.Pattanayek, Y.Xu, T.Mori, C.H.Johnson, P.L.Stewart, M.Egli, 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 (%) 23 / 29

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Full Length Circadian Clock Protein Kaic with Phosphorylation Sites (pdb code 2gbl). 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 Full Length Circadian Clock Protein Kaic with Phosphorylation Sites, PDB code: 2gbl:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 2gbl

Go back to Magnesium Binding Sites List in 2gbl
Magnesium binding site 1 out of 6 in the Crystal Structure of Full Length 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 Full Length Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg801

b:19.5
occ:1.00
 OG1 A:THR295 2.5 71.9 1.0
O2G A:ATP901 2.8 0.8 1.0
PG A:ATP901 3.2 0.0 1.0
O3B A:ATP901 3.2 96.6 1.0
O3G A:ATP901 3.3 97.4 1.0
OE1 A:GLU318 3.3 0.3 1.0
OE2 A:GLU319 3.4 99.6 1.0
NH2 B:ARG459 3.5 87.0 1.0
CB A:THR295 3.6 71.8 1.0
O3A A:ATP901 3.8 88.6 1.0
CG2 A:THR295 3.9 71.7 1.0
OD2 A:ASP378 3.9 91.5 1.0
CD A:GLU319 4.1 96.2 1.0
PB A:ATP901 4.2 85.5 1.0
CG A:GLU319 4.2 92.5 1.0
CZ B:ARG459 4.3 83.2 1.0
NE B:ARG459 4.3 81.3 1.0
OD1 A:ASP378 4.4 82.4 1.0
O2A A:ATP901 4.4 86.3 1.0
CD A:GLU318 4.4 0.7 1.0
CG A:ASP378 4.5 88.0 1.0
O1G A:ATP901 4.6 0.3 1.0
O1B A:ATP901 4.6 83.5 1.0
CB A:GLU318 4.7 90.8 1.0
PA A:ATP901 4.8 86.1 1.0
CA A:THR295 4.8 70.6 1.0

Magnesium binding site 2 out of 6 in 2gbl

Go back to Magnesium Binding Sites List in 2gbl
Magnesium binding site 2 out of 6 in the Crystal Structure of Full Length 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 Full Length Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:73.7
occ:1.00
 OE1 B:GLU318 2.4 90.7 1.0
O2G B:ATP901 3.0 0.2 1.0
OG1 B:THR415 3.1 66.1 1.0
CD B:GLU318 3.2 86.4 1.0
O3B B:ATP901 3.3 0.2 1.0
OE2 B:GLU318 3.4 87.8 1.0
PG B:ATP901 3.7 0.4 1.0
CE B:LYS294 3.8 63.5 1.0
NZ B:LYS294 3.9 62.6 1.0
OD1 B:ASP378 4.0 74.2 1.0
OG1 B:THR295 4.0 39.5 1.0
CG2 B:THR413 4.1 88.3 1.0
CB B:SER379 4.3 77.1 1.0
OG B:SER379 4.3 85.0 1.0
O1B B:ATP901 4.4 87.1 1.0
CB B:THR415 4.5 57.5 1.0
O1G B:ATP901 4.6 0.5 1.0
PB B:ATP901 4.6 84.1 1.0
CG B:GLU318 4.6 83.7 1.0
CG2 C:TPO432 4.9 11.4 1.0
O3G B:ATP901 4.9 0.7 1.0
CG B:ASP378 5.0 72.6 1.0
CA B:SER379 5.0 73.4 1.0

Magnesium binding site 3 out of 6 in 2gbl

Go back to Magnesium Binding Sites List in 2gbl
Magnesium binding site 3 out of 6 in the Crystal Structure of Full Length 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 Full Length Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg803

b:19.5
occ:1.00
 OG1 C:THR295 2.2 54.3 1.0
O3B C:ATP901 2.9 88.3 1.0
O2G C:ATP901 3.0 0.3 1.0
CB C:THR295 3.0 59.0 1.0
O3G C:ATP901 3.0 97.3 1.0
PG C:ATP901 3.1 0.5 1.0
O3A C:ATP901 3.2 61.2 1.0
OE2 C:GLU319 3.2 87.2 1.0
CG2 C:THR295 3.6 47.4 1.0
PB C:ATP901 3.7 61.3 1.0
O2A C:ATP901 3.7 64.5 1.0
NH2 D:ARG459 4.0 45.6 1.0
OE1 C:GLU318 4.0 76.8 1.0
CD C:GLU319 4.0 79.7 1.0
O1B C:ATP901 4.1 67.8 1.0
PA C:ATP901 4.1 61.2 1.0
OD2 C:ASP378 4.3 62.6 1.0
NE D:ARG459 4.3 36.4 1.0
CA C:THR295 4.4 52.8 1.0
O1G C:ATP901 4.5 90.9 1.0
CG C:GLU319 4.6 75.8 1.0
N C:THR295 4.6 55.1 1.0
CZ D:ARG459 4.6 45.0 1.0
OE1 C:GLU319 4.9 78.8 1.0
CG C:ASP378 5.0 64.2 1.0

Magnesium binding site 4 out of 6 in 2gbl

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Magnesium binding site 4 out of 6 in the Crystal Structure of Full Length 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 Full Length Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg804

b:19.5
occ:1.00
 OG1 D:THR295 2.0 39.7 1.0
CB D:THR295 2.8 54.5 1.0
O3B D:ATP901 2.8 76.7 1.0
O3A D:ATP901 3.0 62.7 1.0
O2G D:ATP901 3.1 0.8 1.0
O3G D:ATP901 3.1 95.5 1.0
PG D:ATP901 3.2 89.6 1.0
CG2 D:THR295 3.4 44.9 1.0
OE2 D:GLU319 3.5 89.2 1.0
PB D:ATP901 3.5 59.8 1.0
O1B D:ATP901 3.9 67.0 1.0
O2A D:ATP901 3.9 67.0 1.0
PA D:ATP901 4.1 63.7 1.0
CA D:THR295 4.2 53.3 1.0
NH2 E:ARG459 4.3 76.9 1.0
OE1 D:GLU318 4.3 79.8 1.0
OD2 D:ASP378 4.3 53.6 1.0
N D:THR295 4.4 56.8 1.0
CD D:GLU319 4.4 79.2 1.0
OD1 D:ASP378 4.5 54.2 1.0
NE E:ARG459 4.6 67.3 1.0
O1G D:ATP901 4.6 79.5 1.0
CG D:ASP378 4.8 59.4 1.0
CG D:GLU319 4.8 75.1 1.0
CZ E:ARG459 4.9 71.1 1.0
O2B D:ATP901 4.9 66.1 1.0
O1A D:ATP901 4.9 61.1 1.0

Magnesium binding site 5 out of 6 in 2gbl

Go back to Magnesium Binding Sites List in 2gbl
Magnesium binding site 5 out of 6 in the Crystal Structure of Full Length 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 Full Length Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg805

b:19.5
occ:1.00
 OG1 E:THR295 2.2 60.8 1.0
O3B E:ATP901 2.8 88.6 1.0
O2G E:ATP901 3.0 0.7 1.0
PG E:ATP901 3.2 0.2 1.0
CB E:THR295 3.3 58.5 1.0
O3A E:ATP901 3.3 73.4 1.0
O3G E:ATP901 3.4 0.3 1.0
OE1 E:GLU318 3.5 87.0 1.0
PB E:ATP901 3.6 67.1 1.0
OE2 E:GLU319 3.6 97.8 1.0
CG2 E:THR295 3.7 55.6 1.0
OD2 E:ASP378 3.8 70.7 1.0
O1B E:ATP901 4.0 67.2 1.0
NH2 F:ARG459 4.2 76.8 1.0
OD1 E:ASP378 4.3 52.5 1.0
O2A E:ATP901 4.3 70.6 1.0
CG E:ASP378 4.4 63.7 1.0
CA E:THR295 4.4 59.1 1.0
CD E:GLU319 4.5 90.4 1.0
N E:THR295 4.5 56.8 1.0
PA E:ATP901 4.5 69.0 1.0
CD E:GLU318 4.6 83.3 1.0
O1G E:ATP901 4.6 0.1 1.0
NE F:ARG459 4.7 74.0 1.0
CG E:GLU319 4.8 85.7 1.0
CZ F:ARG459 4.9 77.0 1.0
O2B E:ATP901 5.0 80.0 1.0

Magnesium binding site 6 out of 6 in 2gbl

Go back to Magnesium Binding Sites List in 2gbl
Magnesium binding site 6 out of 6 in the Crystal Structure of Full Length 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 Full Length Circadian Clock Protein Kaic with Phosphorylation Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg806

b:19.5
occ:1.00
 OG1 F:THR295 2.5 76.5 1.0
O2G F:ATP901 2.9 0.3 1.0
OE2 F:GLU319 3.1 0.2 1.0
O F:HOH926 3.2 19.5 1.0
O3G F:ATP901 3.3 1.0 1.0
PG F:ATP901 3.4 0.2 1.0
O3B F:ATP901 3.5 0.7 1.0
CB F:THR295 3.5 72.1 1.0
OE1 F:GLU318 3.6 0.1 1.0
NH2 A:ARG459 3.6 73.1 1.0
CG2 F:THR295 3.7 70.6 1.0
CD F:GLU319 3.8 99.8 1.0
OD2 F:ASP378 3.9 75.4 1.0
CG F:GLU319 3.9 98.5 1.0
O3A F:ATP901 4.0 88.6 1.0
NE A:ARG459 4.3 64.5 1.0
CZ A:ARG459 4.4 64.3 1.0
O2A F:ATP901 4.4 88.4 1.0
PB F:ATP901 4.4 90.9 1.0
CB F:GLU318 4.6 89.3 1.0
CD F:GLU318 4.6 99.5 1.0
CG F:ASP378 4.6 74.0 1.0
OE1 F:GLU319 4.7 96.8 1.0
CA F:THR295 4.8 69.1 1.0
OD1 F:ASP378 4.8 70.2 1.0
O1G F:ATP901 4.8 0.5 1.0
PA F:ATP901 4.9 80.9 1.0
O F:HOH904 4.9 60.8 1.0
O1B F:ATP901 4.9 84.4 1.0

Reference:

R.Pattanayek, D.R.Williams, S.Pattanayek, Y.Xu, T.Mori, C.H.Johnson, P.L.Stewart, M.Egli. Analysis of Kaia-Kaic Protein Interactions in the Cyano-Bacterial Circadian Clock Using Hybrid Structural Methods. Embo J. V. 25 2017 2006.
ISSN: ISSN 0261-4189
PubMed: 16628225
DOI: 10.1038/SJ.EMBOJ.7601086
Page generated: Tue Aug 13 23:25:56 2024

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