Manganese in PDB 1m1a: Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Protein crystallography data
The structure of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna, PDB code: 1m1a
was solved by
R.K.Suto,
R.S.Edayathumangalam,
C.L.White,
C.Melander,
J.M.Gottesfeld,
P.B.Dervan,
K.Luger,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
60.00 /
2.65
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
106.719,
109.196,
177.353,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.3 /
26.7
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
(pdb code 1m1a). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 10 binding sites of Manganese where determined in the
Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna, PDB code: 1m1a:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 10 in 1m1a
Go back to
Manganese Binding Sites List in 1m1a
Manganese binding site 1 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn303
b:0.0
occ:1.00
|
N7
|
I:DG134
|
2.2
|
0.7
|
1.0
|
C8
|
I:DG134
|
3.1
|
0.5
|
1.0
|
C5
|
I:DG134
|
3.3
|
0.7
|
1.0
|
O6
|
I:DG134
|
3.5
|
0.9
|
1.0
|
C6
|
I:DG134
|
3.8
|
0.8
|
1.0
|
O6
|
I:DG135
|
4.1
|
0.6
|
1.0
|
C8
|
I:DA133
|
4.1
|
0.0
|
1.0
|
N7
|
I:DA133
|
4.2
|
0.0
|
1.0
|
N9
|
I:DG134
|
4.3
|
0.4
|
1.0
|
C4
|
I:DG134
|
4.4
|
0.6
|
1.0
|
N9
|
I:DA133
|
5.0
|
0.5
|
1.0
|
C5
|
I:DA133
|
5.0
|
0.9
|
1.0
|
OP2
|
I:DA133
|
5.0
|
0.9
|
1.0
|
|
Manganese binding site 2 out
of 10 in 1m1a
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Manganese Binding Sites List in 1m1a
Manganese binding site 2 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn305
b:0.4
occ:1.00
|
N7
|
I:DG71
|
2.5
|
73.9
|
1.0
|
C8
|
I:DG71
|
3.5
|
74.0
|
1.0
|
C5
|
I:DG71
|
3.5
|
74.2
|
1.0
|
O6
|
I:DG71
|
3.6
|
74.2
|
1.0
|
N6
|
I:DA72
|
3.8
|
79.0
|
1.0
|
C6
|
I:DG71
|
3.9
|
73.3
|
1.0
|
C8
|
I:DG70
|
4.4
|
74.0
|
1.0
|
C2'
|
I:DG70
|
4.4
|
68.1
|
1.0
|
N9
|
I:DG71
|
4.7
|
74.0
|
1.0
|
C4
|
I:DG71
|
4.7
|
74.6
|
1.0
|
O4
|
J:DT221
|
4.7
|
92.6
|
1.0
|
N7
|
I:DG70
|
4.8
|
75.7
|
1.0
|
N9
|
I:DG70
|
4.8
|
72.6
|
1.0
|
C6
|
I:DA72
|
4.8
|
79.8
|
1.0
|
|
Manganese binding site 3 out
of 10 in 1m1a
Go back to
Manganese Binding Sites List in 1m1a
Manganese binding site 3 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn307
b:0.9
occ:1.00
|
O4'
|
I:DC88
|
3.8
|
78.5
|
1.0
|
N2
|
I:DG87
|
3.8
|
96.0
|
1.0
|
C4'
|
I:DC88
|
3.9
|
78.7
|
1.0
|
C5'
|
I:DC89
|
3.9
|
72.7
|
1.0
|
O4'
|
I:DC89
|
4.0
|
70.0
|
1.0
|
C4'
|
I:DC89
|
4.1
|
72.1
|
1.0
|
N3
|
I:DG87
|
4.5
|
93.4
|
1.0
|
C5'
|
I:DC88
|
4.6
|
80.7
|
1.0
|
C2
|
I:DG87
|
4.6
|
94.6
|
1.0
|
C1'
|
I:DC88
|
4.7
|
79.7
|
1.0
|
O4'
|
J:DA207
|
5.0
|
56.8
|
1.0
|
|
Manganese binding site 4 out
of 10 in 1m1a
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Manganese Binding Sites List in 1m1a
Manganese binding site 4 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn309
b:0.5
occ:1.00
|
N7
|
I:DG121
|
2.8
|
0.2
|
1.0
|
C8
|
I:DG121
|
3.5
|
0.8
|
1.0
|
C5
|
I:DG121
|
4.0
|
0.0
|
1.0
|
O
|
I:HOH315
|
4.2
|
64.6
|
1.0
|
O6
|
I:DG122
|
4.2
|
0.1
|
1.0
|
C2'
|
I:DT120
|
4.2
|
0.6
|
1.0
|
O6
|
I:DG121
|
4.4
|
0.7
|
1.0
|
C3'
|
I:DT120
|
4.5
|
0.7
|
1.0
|
OP2
|
I:DG121
|
4.6
|
0.9
|
1.0
|
C6
|
I:DG121
|
4.6
|
0.3
|
1.0
|
O3'
|
I:DT120
|
4.7
|
0.4
|
1.0
|
N9
|
I:DG121
|
4.8
|
0.9
|
1.0
|
|
Manganese binding site 5 out
of 10 in 1m1a
Go back to
Manganese Binding Sites List in 1m1a
Manganese binding site 5 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn310
b:0.9
occ:1.00
|
O6
|
I:DG40
|
2.3
|
0.8
|
1.0
|
N7
|
I:DG40
|
2.6
|
0.0
|
1.0
|
N7
|
I:DG39
|
2.8
|
0.9
|
1.0
|
C6
|
I:DG40
|
2.9
|
1.0
|
1.0
|
C5
|
I:DG40
|
2.9
|
0.7
|
1.0
|
C8
|
I:DG39
|
3.0
|
0.3
|
1.0
|
C8
|
I:DG40
|
3.8
|
0.6
|
1.0
|
C5
|
I:DG39
|
3.8
|
0.2
|
1.0
|
N9
|
I:DG39
|
4.1
|
0.8
|
1.0
|
N1
|
I:DG40
|
4.2
|
0.3
|
1.0
|
C4
|
I:DG40
|
4.3
|
0.2
|
1.0
|
OP2
|
I:DG39
|
4.5
|
0.3
|
1.0
|
C4
|
I:DG39
|
4.5
|
0.2
|
1.0
|
N9
|
I:DG40
|
4.6
|
0.1
|
1.0
|
C6
|
I:DG39
|
4.7
|
0.2
|
1.0
|
O6
|
I:DG39
|
4.9
|
0.1
|
1.0
|
C2'
|
I:DG39
|
4.9
|
1.0
|
1.0
|
N4
|
J:DC253
|
4.9
|
0.4
|
1.0
|
O4
|
J:DT252
|
5.0
|
0.7
|
1.0
|
|
Manganese binding site 6 out
of 10 in 1m1a
Go back to
Manganese Binding Sites List in 1m1a
Manganese binding site 6 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn302
b:0.8
occ:1.00
|
N7
|
J:DG280
|
3.3
|
0.2
|
1.0
|
O6
|
J:DG281
|
3.4
|
0.5
|
1.0
|
O6
|
J:DG280
|
3.9
|
0.6
|
1.0
|
C5
|
J:DG280
|
4.1
|
0.3
|
1.0
|
C8
|
J:DG280
|
4.2
|
0.1
|
1.0
|
C6
|
J:DG280
|
4.4
|
0.5
|
1.0
|
C6
|
J:DG281
|
4.6
|
0.0
|
1.0
|
C8
|
J:DA279
|
4.9
|
0.7
|
1.0
|
|
Manganese binding site 7 out
of 10 in 1m1a
Go back to
Manganese Binding Sites List in 1m1a
Manganese binding site 7 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn304
b:0.1
occ:1.00
|
N7
|
J:DG216
|
2.5
|
63.3
|
1.0
|
C5
|
J:DG216
|
3.4
|
65.5
|
1.0
|
C8
|
J:DG216
|
3.5
|
65.8
|
1.0
|
O6
|
J:DG216
|
3.5
|
67.3
|
1.0
|
C6
|
J:DG216
|
3.8
|
66.0
|
1.0
|
O6
|
J:DG217
|
4.2
|
83.3
|
1.0
|
C2'
|
J:DC215
|
4.4
|
59.3
|
1.0
|
C6
|
J:DC215
|
4.4
|
59.9
|
1.0
|
N9
|
J:DG216
|
4.7
|
64.5
|
1.0
|
C4
|
J:DG216
|
4.7
|
63.9
|
1.0
|
C5
|
J:DC215
|
4.8
|
61.8
|
1.0
|
N4
|
I:DC76
|
4.9
|
94.9
|
1.0
|
|
Manganese binding site 8 out
of 10 in 1m1a
Go back to
Manganese Binding Sites List in 1m1a
Manganese binding site 8 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn306
b:0.3
occ:1.00
|
N7
|
J:DG267
|
2.0
|
99.8
|
1.0
|
C8
|
J:DG267
|
3.0
|
98.6
|
1.0
|
C5
|
J:DG267
|
3.1
|
99.4
|
1.0
|
O6
|
J:DG267
|
3.4
|
99.7
|
1.0
|
C6
|
J:DG267
|
3.6
|
99.5
|
1.0
|
C6
|
J:DT266
|
3.7
|
0.0
|
1.0
|
C2'
|
J:DT266
|
3.9
|
0.7
|
1.0
|
C5
|
J:DT266
|
4.1
|
0.1
|
1.0
|
N1
|
J:DT266
|
4.1
|
0.6
|
1.0
|
O6
|
J:DG268
|
4.2
|
0.1
|
1.0
|
N9
|
J:DG267
|
4.2
|
96.8
|
1.0
|
C4
|
J:DG267
|
4.3
|
98.3
|
1.0
|
C7
|
J:DT266
|
4.4
|
0.2
|
1.0
|
C1'
|
J:DT266
|
4.5
|
0.4
|
1.0
|
OP2
|
J:DG267
|
4.5
|
98.7
|
1.0
|
C2
|
J:DT266
|
4.8
|
0.9
|
1.0
|
C4
|
J:DT266
|
4.8
|
0.6
|
1.0
|
N1
|
J:DG267
|
5.0
|
98.2
|
1.0
|
|
Manganese binding site 9 out
of 10 in 1m1a
Go back to
Manganese Binding Sites List in 1m1a
Manganese binding site 9 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn308
b:0.1
occ:1.00
|
N7
|
J:DG246
|
2.5
|
0.3
|
1.0
|
N7
|
J:DA245
|
2.9
|
0.2
|
1.0
|
C8
|
J:DA245
|
3.2
|
0.9
|
1.0
|
O6
|
J:DG246
|
3.4
|
0.2
|
1.0
|
C5
|
J:DG246
|
3.4
|
0.4
|
1.0
|
C8
|
J:DG246
|
3.5
|
0.3
|
1.0
|
C6
|
J:DG246
|
3.8
|
0.0
|
1.0
|
C5
|
J:DA245
|
4.1
|
0.5
|
1.0
|
N9
|
J:DA245
|
4.4
|
0.9
|
1.0
|
C4
|
J:DG246
|
4.6
|
0.4
|
1.0
|
N9
|
J:DG246
|
4.7
|
0.8
|
1.0
|
C4
|
J:DA245
|
4.8
|
0.3
|
1.0
|
C6
|
J:DA245
|
4.9
|
0.3
|
1.0
|
N6
|
J:DA245
|
4.9
|
0.3
|
1.0
|
OP2
|
J:DA245
|
4.9
|
0.0
|
1.0
|
|
Manganese binding site 10 out
of 10 in 1m1a
Go back to
Manganese Binding Sites List in 1m1a
Manganese binding site 10 out
of 10 in the Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of Ligand Binding Alters the Structure and Dynamics of Nucleosomal Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn301
b:45.2
occ:1.00
|
O
|
E:HOH182
|
2.0
|
60.7
|
1.0
|
O
|
F:HOH99
|
2.1
|
32.4
|
1.0
|
O
|
E:HOH55
|
2.1
|
27.4
|
1.0
|
OD1
|
E:ASP677
|
2.2
|
45.6
|
1.0
|
O
|
E:HOH181
|
2.3
|
61.1
|
1.0
|
CG
|
E:ASP677
|
3.2
|
43.7
|
1.0
|
OD2
|
E:ASP677
|
3.5
|
43.2
|
1.0
|
CB
|
E:ASP677
|
4.5
|
40.6
|
1.0
|
OE1
|
E:GLN676
|
4.6
|
62.2
|
1.0
|
O
|
E:GLU673
|
4.6
|
37.1
|
1.0
|
O
|
F:LEU222
|
4.7
|
40.6
|
1.0
|
CA
|
E:ASP677
|
4.7
|
42.4
|
1.0
|
N
|
E:ASP677
|
4.8
|
44.0
|
1.0
|
CB
|
E:GLN676
|
5.0
|
50.6
|
1.0
|
|
Reference:
R.K.Suto,
R.S.Edayathumangalam,
C.L.White,
C.Melander,
J.M.Gottesfeld,
P.B.Dervan,
K.Luger.
Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove Dna-Binding Ligands J.Mol.Biol. V. 326 371 2003.
ISSN: ISSN 0022-2836
PubMed: 12559907
DOI: 10.1016/S0022-2836(02)01407-9
Page generated: Sat Oct 5 11:38:29 2024
|