Manganese in PDB 3aze: Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
Protein crystallography data
The structure of Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation, PDB code: 3aze
was solved by
W.Iwasaki,
H.Tachiwana,
K.Kawaguchi,
T.Shibata,
W.Kagawa,
H.Kurumizaka,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.08 /
3.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
106.141,
109.345,
175.839,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
24.4 /
30.2
|
Other elements in 3aze:
The structure of Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
(pdb code 3aze). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 10 binding sites of Manganese where determined in the
Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation, PDB code: 3aze:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 10 in 3aze
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Manganese Binding Sites List in 3aze
Manganese binding site 1 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
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 Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn201
b:60.4
occ:1.00
|
O
|
D:VAL48
|
2.3
|
49.1
|
1.0
|
C
|
D:VAL48
|
3.2
|
50.0
|
1.0
|
CA
|
D:VAL48
|
3.5
|
50.5
|
1.0
|
O
|
D:GLN47
|
3.9
|
50.4
|
1.0
|
CB
|
D:VAL48
|
4.3
|
49.7
|
1.0
|
OE1
|
C:GLU64
|
4.3
|
58.6
|
1.0
|
N
|
D:HIS49
|
4.4
|
51.5
|
1.0
|
N
|
D:VAL48
|
4.6
|
46.8
|
1.0
|
C
|
D:GLN47
|
4.7
|
47.8
|
1.0
|
CG1
|
D:VAL48
|
4.8
|
50.2
|
1.0
|
|
Manganese binding site 2 out
of 10 in 3aze
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Manganese Binding Sites List in 3aze
Manganese binding site 2 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
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 Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn1001
b:0.4
occ:1.00
|
O6
|
I:DG68
|
3.3
|
0.8
|
1.0
|
N4
|
J:DC225
|
4.1
|
0.5
|
1.0
|
N7
|
I:DA67
|
4.4
|
76.7
|
1.0
|
C6
|
I:DG68
|
4.5
|
0.6
|
1.0
|
O6
|
J:DG224
|
4.8
|
0.6
|
1.0
|
N7
|
I:DG68
|
4.9
|
0.0
|
1.0
|
|
Manganese binding site 3 out
of 10 in 3aze
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Manganese Binding Sites List in 3aze
Manganese binding site 3 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
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 Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn1002
b:0.4
occ:1.00
|
N7
|
I:DG121
|
2.3
|
0.9
|
1.0
|
C5
|
I:DG121
|
3.2
|
0.6
|
1.0
|
C8
|
I:DG121
|
3.3
|
0.1
|
1.0
|
O6
|
I:DG121
|
3.4
|
1.0
|
1.0
|
C2'
|
I:DT120
|
3.6
|
99.7
|
1.0
|
C6
|
I:DG121
|
3.6
|
0.3
|
1.0
|
C6
|
I:DT120
|
4.0
|
0.7
|
1.0
|
O6
|
I:DG122
|
4.1
|
0.6
|
1.0
|
C3'
|
I:DT120
|
4.3
|
99.5
|
1.0
|
C4
|
I:DG121
|
4.4
|
0.3
|
1.0
|
N9
|
I:DG121
|
4.4
|
0.2
|
1.0
|
C5
|
I:DT120
|
4.5
|
0.8
|
1.0
|
N4
|
J:DC171
|
4.5
|
0.0
|
1.0
|
C7
|
I:DT120
|
4.6
|
0.1
|
1.0
|
N1
|
I:DT120
|
4.6
|
0.6
|
1.0
|
C5'
|
I:DT120
|
4.6
|
99.0
|
1.0
|
C1'
|
I:DT120
|
4.7
|
0.3
|
1.0
|
C6
|
I:DG122
|
4.9
|
0.2
|
1.0
|
N1
|
I:DG121
|
5.0
|
0.3
|
1.0
|
C4'
|
I:DT120
|
5.0
|
99.2
|
1.0
|
|
Manganese binding site 4 out
of 10 in 3aze
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Manganese Binding Sites List in 3aze
Manganese binding site 4 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
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 Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn1003
b:0.3
occ:1.00
|
N7
|
I:DA133
|
2.8
|
0.4
|
1.0
|
C5
|
I:DC132
|
3.5
|
0.1
|
1.0
|
O6
|
I:DG134
|
3.6
|
0.2
|
1.0
|
C6
|
I:DC132
|
3.7
|
0.3
|
1.0
|
N6
|
I:DA133
|
3.7
|
0.4
|
1.0
|
C8
|
I:DA133
|
3.7
|
0.1
|
1.0
|
C5
|
I:DA133
|
3.8
|
1.0
|
1.0
|
C6
|
I:DA133
|
4.2
|
0.5
|
1.0
|
OP2
|
I:DC132
|
4.4
|
0.3
|
1.0
|
C4
|
I:DC132
|
4.6
|
0.5
|
1.0
|
C6
|
I:DG134
|
4.6
|
0.5
|
1.0
|
N7
|
I:DG134
|
4.7
|
0.1
|
1.0
|
N1
|
I:DC132
|
4.7
|
1.0
|
1.0
|
N4
|
J:DC159
|
4.8
|
0.8
|
1.0
|
N9
|
I:DA133
|
4.9
|
0.2
|
1.0
|
C4
|
I:DA133
|
5.0
|
1.0
|
1.0
|
|
Manganese binding site 5 out
of 10 in 3aze
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Manganese Binding Sites List in 3aze
Manganese binding site 5 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
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 Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn1004
b:0.4
occ:1.00
|
N7
|
I:DG100
|
2.8
|
80.8
|
1.0
|
O6
|
I:DG100
|
3.3
|
73.5
|
1.0
|
N7
|
I:DA99
|
3.4
|
0.1
|
1.0
|
C8
|
I:DA99
|
3.5
|
0.2
|
1.0
|
C5
|
I:DG100
|
3.6
|
80.0
|
1.0
|
C6
|
I:DG100
|
3.8
|
77.6
|
1.0
|
C8
|
I:DG100
|
3.8
|
79.2
|
1.0
|
C5
|
I:DA99
|
4.5
|
0.9
|
1.0
|
O5'
|
I:DA99
|
4.5
|
0.7
|
1.0
|
N9
|
I:DA99
|
4.6
|
0.5
|
1.0
|
O6
|
J:DG192
|
4.9
|
0.4
|
1.0
|
C4
|
I:DG100
|
4.9
|
80.6
|
1.0
|
C5'
|
I:DA99
|
4.9
|
0.1
|
1.0
|
N9
|
I:DG100
|
5.0
|
78.9
|
1.0
|
|
Manganese binding site 6 out
of 10 in 3aze
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Manganese Binding Sites List in 3aze
Manganese binding site 6 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
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 Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn1005
b:0.8
occ:1.00
|
O4'
|
I:DC114
|
2.6
|
0.7
|
1.0
|
C4'
|
I:DC114
|
2.9
|
0.4
|
1.0
|
C5'
|
I:DC114
|
3.2
|
0.4
|
1.0
|
N3
|
I:DA113
|
3.8
|
0.3
|
1.0
|
C1'
|
I:DC114
|
4.0
|
0.4
|
1.0
|
C1'
|
I:DA113
|
4.1
|
1.0
|
1.0
|
O5'
|
I:DC114
|
4.1
|
0.2
|
1.0
|
C3'
|
I:DC114
|
4.4
|
0.4
|
1.0
|
O2
|
I:DC114
|
4.4
|
0.6
|
1.0
|
N1
|
I:DC114
|
4.5
|
0.9
|
1.0
|
O3'
|
I:DA113
|
4.6
|
0.6
|
1.0
|
C2
|
I:DA113
|
4.6
|
0.5
|
1.0
|
C4
|
I:DA113
|
4.7
|
0.7
|
1.0
|
C2
|
I:DC114
|
4.7
|
0.9
|
1.0
|
C2'
|
I:DA113
|
4.7
|
0.1
|
1.0
|
O3'
|
I:DC114
|
4.8
|
0.2
|
1.0
|
N9
|
I:DA113
|
4.8
|
0.3
|
1.0
|
O4'
|
I:DA113
|
4.8
|
0.2
|
1.0
|
C2'
|
I:DC114
|
4.9
|
0.1
|
1.0
|
|
Manganese binding site 7 out
of 10 in 3aze
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Manganese Binding Sites List in 3aze
Manganese binding site 7 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
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 Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn1001
b:0.3
occ:1.00
|
O6
|
J:DG186
|
2.8
|
0.1
|
1.0
|
N7
|
J:DG185
|
3.4
|
0.2
|
1.0
|
C6
|
J:DG186
|
3.8
|
0.8
|
1.0
|
C8
|
J:DG185
|
3.9
|
0.8
|
1.0
|
N7
|
J:DG186
|
4.2
|
0.3
|
1.0
|
N4
|
I:DC107
|
4.2
|
0.7
|
1.0
|
C5
|
J:DG186
|
4.4
|
1.0
|
1.0
|
C5
|
J:DG185
|
4.4
|
0.7
|
1.0
|
O6
|
J:DG185
|
4.8
|
0.1
|
1.0
|
O5'
|
J:DG185
|
4.8
|
97.2
|
1.0
|
C6
|
J:DG185
|
5.0
|
0.3
|
1.0
|
|
Manganese binding site 8 out
of 10 in 3aze
Go back to
Manganese Binding Sites List in 3aze
Manganese binding site 8 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
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 Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn1002
b:0.2
occ:1.00
|
N7
|
J:DG267
|
3.1
|
0.4
|
1.0
|
C8
|
J:DG267
|
3.9
|
0.1
|
1.0
|
O6
|
J:DG268
|
4.3
|
0.5
|
1.0
|
C5
|
J:DG267
|
4.3
|
0.2
|
1.0
|
OP2
|
J:DG267
|
4.3
|
96.4
|
1.0
|
O6
|
J:DG267
|
4.5
|
0.7
|
1.0
|
C6
|
J:DG267
|
4.8
|
0.1
|
1.0
|
|
Manganese binding site 9 out
of 10 in 3aze
Go back to
Manganese Binding Sites List in 3aze
Manganese binding site 9 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn1003
b:93.1
occ:1.00
|
N7
|
J:DG217
|
2.5
|
61.1
|
1.0
|
C8
|
J:DG217
|
3.1
|
62.9
|
1.0
|
C5
|
J:DG217
|
3.6
|
63.3
|
1.0
|
N6
|
J:DA218
|
3.8
|
60.4
|
1.0
|
O6
|
J:DG217
|
4.2
|
64.0
|
1.0
|
C6
|
J:DG217
|
4.3
|
65.2
|
1.0
|
N9
|
J:DG217
|
4.4
|
66.1
|
1.0
|
C2'
|
J:DT216
|
4.4
|
76.3
|
1.0
|
N7
|
J:DA218
|
4.5
|
63.6
|
1.0
|
C4
|
J:DG217
|
4.6
|
65.0
|
1.0
|
OP2
|
J:DG217
|
4.7
|
63.2
|
1.0
|
C6
|
J:DA218
|
4.7
|
61.5
|
1.0
|
C5
|
J:DA218
|
4.9
|
63.9
|
1.0
|
|
Manganese binding site 10 out
of 10 in 3aze
Go back to
Manganese Binding Sites List in 3aze
Manganese binding site 10 out
of 10 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q Mutation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn1004
b:98.8
occ:1.00
|
N7
|
J:DG280
|
3.0
|
0.7
|
1.0
|
O6
|
J:DG280
|
3.5
|
0.1
|
1.0
|
C5
|
J:DG280
|
3.8
|
0.1
|
1.0
|
N7
|
J:DA279
|
4.0
|
0.1
|
1.0
|
C8
|
J:DG280
|
4.0
|
0.7
|
1.0
|
C6
|
J:DG280
|
4.0
|
0.2
|
1.0
|
O6
|
J:DG281
|
4.1
|
0.2
|
1.0
|
C8
|
J:DA279
|
4.2
|
0.4
|
1.0
|
|
Reference:
W.Iwasaki,
H.Tachiwana,
K.Kawaguchi,
T.Shibata,
W.Kagawa,
H.Kurumizaka.
Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (Kq) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry V. 50 7822 2011.
ISSN: ISSN 0006-2960
PubMed: 21812398
DOI: 10.1021/BI201021H
Page generated: Sat Oct 5 15:49:16 2024
|