Manganese in PDB 6jr0: Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
Protein crystallography data
The structure of Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms, PDB code: 6jr0
was solved by
M.Saotome,
N.Horikoshi,
K.Urano,
T.Kujirai,
H.Yuzurihara,
H.Kurumizaka,
W.Kagawa,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.02 /
2.50
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
99.566,
108.514,
168.935,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.1 /
25.3
|
Other elements in 6jr0:
The structure of Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
(pdb code 6jr0). 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 Human Nucleosome Phased with 12 Selenium Atoms, PDB code: 6jr0:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Manganese binding site 1 out
of 8 in 6jr0
Go back to
Manganese Binding Sites List in 6jr0
Manganese binding site 1 out
of 8 in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
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 Human Nucleosome Phased with 12 Selenium Atoms within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn201
b:29.6
occ:1.00
|
O
|
E:HOH319
|
2.0
|
22.3
|
1.0
|
OD1
|
E:ASP77
|
2.1
|
31.3
|
1.0
|
O
|
E:HOH312
|
2.2
|
19.7
|
1.0
|
CG
|
E:ASP77
|
3.1
|
27.2
|
1.0
|
OD2
|
E:ASP77
|
3.6
|
23.9
|
1.0
|
O
|
F:HOH206
|
3.8
|
15.6
|
1.0
|
CA
|
E:ASP77
|
4.3
|
24.6
|
1.0
|
CG
|
E:GLN76
|
4.3
|
26.1
|
1.0
|
O
|
F:HOH216
|
4.3
|
21.9
|
1.0
|
CB
|
E:ASP77
|
4.3
|
27.6
|
1.0
|
N
|
E:ASP77
|
4.3
|
24.7
|
1.0
|
O
|
E:GLU73
|
4.6
|
24.8
|
1.0
|
C
|
E:GLN76
|
4.6
|
30.3
|
1.0
|
CB
|
E:GLN76
|
4.8
|
24.1
|
1.0
|
O
|
E:GLN76
|
4.8
|
29.0
|
1.0
|
|
Manganese binding site 2 out
of 8 in 6jr0
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Manganese Binding Sites List in 6jr0
Manganese binding site 2 out
of 8 in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
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 Human Nucleosome Phased with 12 Selenium Atoms within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn201
b:0.8
occ:1.00
|
N7
|
I:DG100
|
2.7
|
46.5
|
1.0
|
O
|
I:HOH328
|
3.5
|
52.1
|
1.0
|
C8
|
I:DG100
|
3.6
|
48.4
|
1.0
|
O6
|
I:DG100
|
3.6
|
53.4
|
1.0
|
C5
|
I:DG100
|
3.7
|
45.9
|
1.0
|
C6
|
I:DG100
|
4.0
|
50.8
|
1.0
|
O
|
I:HOH318
|
4.4
|
42.1
|
1.0
|
C8
|
I:DA99
|
4.8
|
52.8
|
1.0
|
N9
|
I:DG100
|
4.8
|
48.9
|
1.0
|
C4
|
I:DG100
|
4.9
|
42.6
|
1.0
|
N4
|
I:DC101
|
5.0
|
47.9
|
1.0
|
N7
|
I:DA99
|
5.0
|
49.3
|
1.0
|
|
Manganese binding site 3 out
of 8 in 6jr0
Go back to
Manganese Binding Sites List in 6jr0
Manganese binding site 3 out
of 8 in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
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 Human Nucleosome Phased with 12 Selenium Atoms within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn202
b:83.5
occ:1.00
|
N7
|
I:DG134
|
2.5
|
54.3
|
1.0
|
C8
|
I:DG134
|
3.4
|
55.1
|
1.0
|
C5
|
I:DG134
|
3.5
|
49.9
|
1.0
|
O6
|
I:DG134
|
3.6
|
51.8
|
1.0
|
O
|
I:HOH341
|
3.9
|
45.3
|
1.0
|
C6
|
I:DG134
|
3.9
|
50.3
|
1.0
|
O6
|
I:DG135
|
4.1
|
58.7
|
1.0
|
N9
|
I:DG134
|
4.6
|
50.9
|
1.0
|
C4
|
I:DG134
|
4.6
|
50.5
|
1.0
|
N7
|
I:DA133
|
4.6
|
51.1
|
1.0
|
C8
|
I:DA133
|
4.6
|
54.1
|
1.0
|
N7
|
I:DG135
|
4.8
|
53.1
|
1.0
|
C6
|
I:DG135
|
5.0
|
52.4
|
1.0
|
|
Manganese binding site 4 out
of 8 in 6jr0
Go back to
Manganese Binding Sites List in 6jr0
Manganese binding site 4 out
of 8 in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
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 Human Nucleosome Phased with 12 Selenium Atoms within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn203
b:46.6
occ:1.00
|
O
|
I:HOH354
|
1.9
|
41.2
|
1.0
|
O
|
I:HOH391
|
2.0
|
64.2
|
1.0
|
N7
|
I:DG121
|
2.5
|
30.1
|
1.0
|
O6
|
I:DG121
|
3.3
|
27.5
|
1.0
|
C5
|
I:DG121
|
3.4
|
28.6
|
1.0
|
C8
|
I:DG121
|
3.5
|
38.3
|
1.0
|
C6
|
I:DG121
|
3.7
|
31.0
|
1.0
|
C2'
|
I:DT120
|
4.2
|
43.0
|
1.0
|
O6
|
I:DG122
|
4.3
|
32.4
|
1.0
|
C4
|
I:DG121
|
4.6
|
32.7
|
1.0
|
N9
|
I:DG121
|
4.7
|
37.3
|
1.0
|
N4
|
J:DC171
|
4.8
|
30.6
|
1.0
|
C6
|
I:DT120
|
4.9
|
34.6
|
1.0
|
|
Manganese binding site 5 out
of 8 in 6jr0
Go back to
Manganese Binding Sites List in 6jr0
Manganese binding site 5 out
of 8 in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
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 Human Nucleosome Phased with 12 Selenium Atoms within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn301
b:87.1
occ:1.00
|
N7
|
J:DG280
|
2.5
|
65.8
|
1.0
|
C8
|
J:DG280
|
3.4
|
68.2
|
1.0
|
C5
|
J:DG280
|
3.5
|
63.2
|
1.0
|
O6
|
J:DG280
|
3.7
|
70.2
|
1.0
|
C6
|
J:DG280
|
4.0
|
63.8
|
1.0
|
O6
|
J:DG281
|
4.2
|
75.1
|
1.0
|
C8
|
J:DA279
|
4.5
|
56.0
|
1.0
|
N7
|
J:DA279
|
4.5
|
54.4
|
1.0
|
N9
|
J:DG280
|
4.6
|
64.7
|
1.0
|
OP2
|
J:DA279
|
4.6
|
55.4
|
1.0
|
C4
|
J:DG280
|
4.7
|
64.7
|
1.0
|
N7
|
J:DG281
|
4.8
|
76.1
|
1.0
|
|
Manganese binding site 6 out
of 8 in 6jr0
Go back to
Manganese Binding Sites List in 6jr0
Manganese binding site 6 out
of 8 in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
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 Human Nucleosome Phased with 12 Selenium Atoms within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn302
b:67.8
occ:1.00
|
O
|
J:HOH425
|
1.9
|
66.8
|
1.0
|
O
|
J:HOH475
|
2.2
|
37.3
|
1.0
|
N7
|
J:DG267
|
2.6
|
48.5
|
1.0
|
C8
|
J:DG267
|
3.5
|
47.2
|
1.0
|
C5
|
J:DG267
|
3.7
|
46.6
|
1.0
|
O6
|
J:DG267
|
4.0
|
48.1
|
1.0
|
OP2
|
J:DG267
|
4.1
|
54.4
|
1.0
|
C6
|
J:DG267
|
4.2
|
47.1
|
1.0
|
C2'
|
J:DT266
|
4.4
|
49.8
|
1.0
|
O6
|
J:DG268
|
4.4
|
45.6
|
1.0
|
O
|
J:HOH428
|
4.6
|
34.9
|
1.0
|
N9
|
J:DG267
|
4.7
|
46.8
|
1.0
|
C4
|
J:DG267
|
4.8
|
45.6
|
1.0
|
N4
|
I:DC25
|
5.0
|
44.8
|
1.0
|
|
Manganese binding site 7 out
of 8 in 6jr0
Go back to
Manganese Binding Sites List in 6jr0
Manganese binding site 7 out
of 8 in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
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 Human Nucleosome Phased with 12 Selenium Atoms within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn303
b:67.9
occ:1.00
|
N7
|
J:DG185
|
2.3
|
38.0
|
1.0
|
O6
|
J:DG186
|
2.9
|
36.8
|
1.0
|
C8
|
J:DG185
|
3.1
|
38.3
|
1.0
|
C5
|
J:DG185
|
3.4
|
37.8
|
1.0
|
C6
|
J:DG186
|
3.7
|
35.9
|
1.0
|
OP2
|
J:DG185
|
3.9
|
53.9
|
1.0
|
O6
|
J:DG185
|
4.0
|
38.6
|
1.0
|
C6
|
J:DG185
|
4.1
|
40.3
|
1.0
|
N7
|
J:DG186
|
4.1
|
33.6
|
1.0
|
C5
|
J:DG186
|
4.2
|
36.0
|
1.0
|
N9
|
J:DG185
|
4.3
|
40.1
|
1.0
|
N4
|
I:DC107
|
4.4
|
36.4
|
1.0
|
C4
|
J:DG185
|
4.5
|
37.5
|
1.0
|
C2'
|
J:DT184
|
4.5
|
38.1
|
1.0
|
N1
|
J:DG186
|
4.7
|
35.7
|
1.0
|
|
Manganese binding site 8 out
of 8 in 6jr0
Go back to
Manganese Binding Sites List in 6jr0
Manganese binding site 8 out
of 8 in the Crystal Structure of the Human Nucleosome Phased with 12 Selenium Atoms
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 Human Nucleosome Phased with 12 Selenium Atoms within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn304
b:69.5
occ:1.00
|
N7
|
J:DG217
|
2.4
|
35.2
|
1.0
|
O
|
J:HOH410
|
2.4
|
40.6
|
1.0
|
O
|
J:HOH495
|
2.5
|
35.5
|
1.0
|
C8
|
J:DG217
|
3.2
|
35.6
|
1.0
|
C5
|
J:DG217
|
3.4
|
34.3
|
1.0
|
O
|
J:HOH415
|
3.5
|
33.6
|
1.0
|
O6
|
J:DG217
|
3.8
|
35.9
|
1.0
|
N6
|
J:DA218
|
4.0
|
31.7
|
1.0
|
C6
|
J:DG217
|
4.0
|
36.0
|
1.0
|
C2'
|
J:DT216
|
4.2
|
37.6
|
1.0
|
N9
|
J:DG217
|
4.4
|
35.7
|
1.0
|
OP2
|
J:DG217
|
4.5
|
29.8
|
1.0
|
C4
|
J:DG217
|
4.6
|
34.8
|
1.0
|
N7
|
J:DA218
|
4.8
|
36.3
|
1.0
|
C6
|
J:DT216
|
4.8
|
37.2
|
1.0
|
C6
|
J:DA218
|
4.9
|
34.9
|
1.0
|
|
Reference:
M.Saotome,
N.Horikoshi,
K.Urano,
T.Kujirai,
H.Yuzurihara,
H.Kurumizaka,
W.Kagawa.
Structure Determination of the Nucleosome Core Particle By Selenium Sad Phasing. Acta Crystallogr D Struct V. 75 930 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31588924
DOI: 10.1107/S2059798319012713
Page generated: Sun Oct 6 05:05:00 2024
|