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Manganese in PDB 5b0y: Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122

Protein crystallography data

The structure of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122, PDB code: 5b0y was solved by Y.Suzuki, N.Horikoshi, H.Kurumizaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.82 / 2.56
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 99.635, 108.773, 171.142, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 24.9

Other elements in 5b0y:

The structure of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 (pdb code 5b0y). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122, PDB code: 5b0y:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 5b0y

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Manganese binding site 1 out of 8 in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn301

b:41.1
occ:1.00
OD1 E:ASP77 2.1 42.4 1.0
CG E:ASP77 3.2 39.5 1.0
OD2 E:ASP77 3.6 39.3 1.0
CB E:ASP77 4.5 29.5 1.0
O E:GLU73 4.5 32.7 1.0
N E:ASP77 4.6 35.0 1.0
CA E:ASP77 4.7 31.1 1.0
O F:LEU22 4.9 36.3 1.0
CG E:GLN76 4.9 40.9 1.0
C E:GLN76 5.0 36.6 1.0
CB E:GLN76 5.0 33.9 1.0

Manganese binding site 2 out of 8 in 5b0y

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Manganese binding site 2 out of 8 in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn301

b:92.2
occ:1.00
O6 I:DG68 2.4 68.7 1.0
C6 I:DG68 3.6 64.4 1.0
N4 J:DC225 3.8 72.2 1.0
N7 I:DG68 4.1 60.7 1.0
C5 I:DG68 4.2 61.4 1.0
O6 J:DG224 4.6 68.1 1.0
N7 J:DG224 4.6 72.4 1.0
N1 I:DG68 4.7 62.2 1.0
N7 I:DA67 4.8 59.7 1.0

Manganese binding site 3 out of 8 in 5b0y

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Manganese binding site 3 out of 8 in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn302

b:0.4
occ:1.00
N7 I:DG134 2.4 98.2 1.0
C8 I:DG134 3.1 96.2 1.0
C8 I:DA133 3.3 97.1 1.0
N7 I:DA133 3.4 96.2 1.0
C5 I:DG134 3.5 96.9 1.0
OP2 I:DA133 4.0 96.4 1.0
O6 I:DG134 4.0 98.3 1.0
C6 I:DG134 4.2 97.1 1.0
N9 I:DA133 4.2 95.8 1.0
C2' I:DA133 4.4 95.3 1.0
N9 I:DG134 4.4 96.3 1.0
C5 I:DA133 4.4 95.9 1.0
C4 I:DG134 4.6 97.2 1.0
C4 I:DA133 4.9 94.8 1.0
C1' I:DA133 4.9 94.0 1.0

Manganese binding site 4 out of 8 in 5b0y

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Manganese binding site 4 out of 8 in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn303

b:75.6
occ:1.00
N7 I:DG121 2.5 54.5 1.0
C8 I:DG121 3.3 55.0 1.0
C5 I:DG121 3.6 56.2 1.0
O6 I:DG121 4.0 57.7 1.0
C6 I:DG121 4.2 57.1 1.0
O6 I:DG122 4.4 59.0 1.0
N9 I:DG121 4.6 57.2 1.0
C4 I:DG121 4.7 54.9 1.0
C2' I:DT120 4.8 58.9 1.0

Manganese binding site 5 out of 8 in 5b0y

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Manganese binding site 5 out of 8 in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn301

b:71.1
occ:1.00
N7 J:DG185 2.2 60.0 1.0
O6 J:DG186 2.8 59.4 1.0
C8 J:DG185 3.1 56.3 1.0
C5 J:DG185 3.2 59.3 1.0
O6 J:DG185 3.5 62.5 1.0
C6 J:DG186 3.7 60.7 1.0
C6 J:DG185 3.7 61.3 1.0
OP2 J:DG185 4.0 63.1 1.0
N4 I:DC107 4.2 61.2 1.0
C5 J:DG186 4.3 60.9 1.0
N7 J:DG186 4.3 59.0 1.0
C2' J:DT184 4.3 57.4 1.0
N9 J:DG185 4.3 56.0 1.0
C4 J:DG185 4.4 57.0 1.0
N1 J:DG186 4.7 59.3 1.0
O3' J:DT184 4.7 61.3 1.0
C3' J:DT184 4.9 60.0 1.0

Manganese binding site 6 out of 8 in 5b0y

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Manganese binding site 6 out of 8 in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn302

b:93.9
occ:1.00
N7 J:DG280 2.4 82.0 1.0
O6 J:DG280 3.4 84.4 1.0
C5 J:DG280 3.4 81.9 1.0
C8 J:DG280 3.5 82.6 1.0
C6 J:DG280 3.8 82.0 1.0
C8 J:DA279 4.2 74.2 1.0
N7 J:DA279 4.3 73.1 1.0
C4 J:DG280 4.6 83.8 1.0
N9 J:DG280 4.7 83.5 1.0
O6 J:DG281 4.8 89.7 1.0
N7 J:DG281 5.0 89.3 1.0

Manganese binding site 7 out of 8 in 5b0y

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Manganese binding site 7 out of 8 in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn303

b:84.3
occ:1.00
N7 J:DG267 2.2 67.1 1.0
C8 J:DG267 3.2 62.9 1.0
C5 J:DG267 3.3 65.9 1.0
O6 J:DG267 3.6 68.6 1.0
C6 J:DG267 3.8 67.6 1.0
OP2 J:DG267 4.0 65.0 1.0
O6 J:DG268 4.2 64.5 1.0
C2' J:DT266 4.3 62.5 1.0
N9 J:DG267 4.4 63.5 1.0
C4 J:DG267 4.5 63.8 1.0
O3' J:DT266 4.6 63.1 1.0
C3' J:DT266 4.9 63.6 1.0
P J:DG267 5.0 61.1 1.0

Manganese binding site 8 out of 8 in 5b0y

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Manganese binding site 8 out of 8 in the Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of the Nucleosome Containing Histone H3 with the Crotonylated Lysine 122 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn304

b:72.5
occ:1.00
N7 J:DG217 2.2 47.8 1.0
C8 J:DG217 3.1 46.8 1.0
C5 J:DG217 3.3 47.6 1.0
O6 J:DG217 3.7 53.1 1.0
C6 J:DG217 3.9 49.6 1.0
C2' J:DT216 4.2 46.5 1.0
N6 J:DA218 4.2 49.5 1.0
N9 J:DG217 4.3 48.1 1.0
OP2 J:DG217 4.3 41.4 1.0
C4 J:DG217 4.5 47.0 1.0
C6 J:DT216 4.7 48.5 1.0

Reference:

Y.Suzuki, N.Horikoshi, D.Kato, H.Kurumizaka. Crystal Structure of the Nucleosome Containing Histone H3 with Crotonylated Lysine 122 Biochem.Biophys.Res.Commun. V. 469 483 2016.
ISSN: ESSN 1090-2104
PubMed: 26694698
DOI: 10.1016/J.BBRC.2015.12.041
Page generated: Sat Oct 5 23:32:22 2024

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