Manganese in PDB 6ozq: Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
Protein crystallography data
The structure of Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+, PDB code: 6ozq
was solved by
N.L.Samara,
W.Yang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.72 /
2.15
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.205,
73.807,
154.659,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.4 /
20.9
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
(pdb code 6ozq). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 7 binding sites of Manganese where determined in the
Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+, PDB code: 6ozq:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
Manganese binding site 1 out
of 7 in 6ozq
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Manganese Binding Sites List in 6ozq
Manganese binding site 1 out
of 7 in the Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
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 Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn301
b:48.9
occ:1.00
|
OD1
|
A:ASP240
|
2.2
|
72.3
|
1.0
|
OP1
|
C:U12
|
2.2
|
48.8
|
1.0
|
OD2
|
A:ASP126
|
2.3
|
48.8
|
1.0
|
O
|
A:HOH422
|
2.4
|
24.6
|
0.5
|
OD1
|
A:ASP52
|
2.4
|
50.8
|
1.0
|
O
|
A:HOH406
|
2.5
|
46.9
|
1.0
|
CG
|
A:ASP240
|
3.0
|
63.5
|
1.0
|
CG
|
A:ASP52
|
3.1
|
46.4
|
1.0
|
OD2
|
A:ASP240
|
3.3
|
56.3
|
1.0
|
CG
|
A:ASP126
|
3.3
|
52.9
|
1.0
|
O
|
A:HOH426
|
3.5
|
37.6
|
1.0
|
CB
|
A:ASP52
|
3.6
|
30.1
|
1.0
|
P
|
C:U12
|
3.7
|
42.2
|
1.0
|
O
|
A:HOH405
|
3.9
|
32.6
|
1.0
|
CB
|
A:ASP126
|
3.9
|
43.2
|
1.0
|
OD2
|
A:ASP52
|
3.9
|
62.9
|
1.0
|
CA
|
A:ASP52
|
4.2
|
33.0
|
1.0
|
O3'
|
C:A11
|
4.2
|
43.3
|
1.0
|
OD1
|
A:ASP126
|
4.3
|
56.7
|
1.0
|
CB
|
A:ASP240
|
4.4
|
42.6
|
1.0
|
CG2
|
A:ILE236
|
4.4
|
36.4
|
1.0
|
O
|
A:VAL51
|
4.5
|
31.9
|
1.0
|
O5'
|
C:U12
|
4.6
|
37.7
|
1.0
|
C5'
|
C:U12
|
4.6
|
46.6
|
1.0
|
OP2
|
C:U12
|
4.6
|
44.0
|
1.0
|
O
|
A:ILE236
|
4.7
|
31.9
|
1.0
|
CA
|
A:ASP240
|
4.8
|
39.9
|
1.0
|
N
|
A:VAL53
|
5.0
|
38.8
|
1.0
|
|
Manganese binding site 2 out
of 7 in 6ozq
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Manganese Binding Sites List in 6ozq
Manganese binding site 2 out
of 7 in the Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
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 Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn301
b:49.0
occ:1.00
|
OD1
|
B:ASP52
|
2.1
|
39.1
|
1.0
|
OP1
|
D:U12
|
2.2
|
45.3
|
1.0
|
O
|
B:HOH413
|
2.2
|
41.2
|
1.0
|
OD1
|
B:ASP240
|
2.3
|
79.6
|
1.0
|
OD2
|
B:ASP126
|
2.5
|
71.5
|
1.0
|
O
|
B:HOH420
|
2.5
|
69.5
|
1.0
|
CG
|
B:ASP240
|
3.1
|
68.0
|
1.0
|
CG
|
B:ASP52
|
3.1
|
47.4
|
1.0
|
OD2
|
B:ASP240
|
3.3
|
71.9
|
1.0
|
O
|
B:HOH403
|
3.3
|
39.7
|
1.0
|
CG
|
B:ASP126
|
3.4
|
68.2
|
1.0
|
CB
|
B:ASP52
|
3.6
|
28.8
|
1.0
|
P
|
D:U12
|
3.6
|
45.0
|
1.0
|
O
|
B:HOH402
|
3.8
|
38.1
|
1.0
|
CB
|
B:ASP126
|
3.8
|
44.8
|
1.0
|
O3'
|
D:A11
|
4.1
|
41.8
|
1.0
|
OD2
|
B:ASP52
|
4.1
|
55.0
|
1.0
|
CA
|
B:ASP52
|
4.1
|
28.4
|
1.0
|
O
|
B:HOH441
|
4.2
|
45.1
|
0.5
|
OD1
|
B:ASP126
|
4.4
|
72.0
|
1.0
|
O
|
B:VAL51
|
4.4
|
40.4
|
1.0
|
CB
|
B:ASP240
|
4.5
|
55.1
|
1.0
|
OP2
|
D:U12
|
4.5
|
40.0
|
1.0
|
CG2
|
B:ILE236
|
4.6
|
45.6
|
1.0
|
O5'
|
D:U12
|
4.6
|
38.3
|
1.0
|
C5'
|
D:U12
|
4.6
|
41.5
|
1.0
|
O
|
B:ILE236
|
4.7
|
34.4
|
1.0
|
CA
|
B:ASP240
|
4.8
|
41.5
|
1.0
|
N
|
B:VAL53
|
4.9
|
32.7
|
1.0
|
N
|
B:ASP240
|
5.0
|
38.5
|
1.0
|
|
Manganese binding site 3 out
of 7 in 6ozq
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Manganese Binding Sites List in 6ozq
Manganese binding site 3 out
of 7 in the Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
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 Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn101
b:52.9
occ:0.60
|
O
|
C:HOH211
|
2.5
|
39.1
|
1.0
|
O4
|
C:U18
|
2.5
|
39.2
|
1.0
|
C4
|
C:U18
|
3.5
|
43.0
|
1.0
|
C5
|
C:U18
|
3.9
|
37.0
|
1.0
|
N7
|
C:A17
|
3.9
|
42.4
|
1.0
|
N6
|
C:A17
|
4.3
|
34.1
|
1.0
|
C5
|
C:A17
|
4.5
|
43.5
|
1.0
|
N6
|
D:A17
|
4.7
|
31.9
|
1.0
|
O6
|
C:G19
|
4.7
|
38.7
|
1.0
|
N3
|
C:U18
|
4.7
|
37.0
|
1.0
|
C6
|
C:A17
|
4.7
|
37.8
|
1.0
|
C8
|
C:A17
|
4.7
|
42.2
|
1.0
|
|
Manganese binding site 4 out
of 7 in 6ozq
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Manganese Binding Sites List in 6ozq
Manganese binding site 4 out
of 7 in the Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
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 Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn102
b:45.5
occ:0.50
|
O
|
C:HOH210
|
2.1
|
43.6
|
1.0
|
OP2
|
C:A13
|
2.1
|
53.9
|
1.0
|
O
|
A:HOH426
|
2.8
|
37.6
|
1.0
|
P
|
C:A13
|
3.4
|
47.6
|
1.0
|
OP1
|
C:A13
|
3.8
|
48.6
|
1.0
|
O
|
C:HOH203
|
3.8
|
54.9
|
1.0
|
OP1
|
C:U12
|
4.3
|
48.8
|
1.0
|
O3'
|
C:U12
|
4.3
|
42.8
|
1.0
|
NH2
|
A:ARG244
|
4.4
|
87.7
|
1.0
|
O5'
|
C:U12
|
4.4
|
37.7
|
1.0
|
O5'
|
C:A13
|
4.5
|
45.4
|
1.0
|
OD1
|
A:ASP240
|
4.6
|
72.3
|
1.0
|
C3'
|
C:U12
|
4.6
|
39.2
|
1.0
|
OP2
|
C:U12
|
4.7
|
44.0
|
1.0
|
P
|
C:U12
|
4.7
|
42.2
|
1.0
|
CG
|
A:ASP240
|
4.8
|
63.5
|
1.0
|
O
|
C:HOH207
|
4.9
|
81.7
|
1.0
|
C5'
|
C:U12
|
4.9
|
46.6
|
1.0
|
|
Manganese binding site 5 out
of 7 in 6ozq
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Manganese Binding Sites List in 6ozq
Manganese binding site 5 out
of 7 in the Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
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 Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn101
b:52.6
occ:0.50
|
MN
|
D:MN101
|
0.0
|
52.6
|
0.5
|
MN
|
D:MN101
|
2.4
|
51.2
|
0.5
|
O4
|
D:U18
|
2.7
|
38.1
|
1.0
|
C4
|
D:U18
|
3.5
|
36.6
|
1.0
|
C5
|
D:U18
|
3.8
|
33.6
|
1.0
|
N7
|
D:A17
|
3.9
|
43.7
|
1.0
|
N6
|
D:A17
|
4.3
|
31.9
|
1.0
|
C5
|
D:A17
|
4.5
|
40.4
|
1.0
|
O6
|
D:G19
|
4.6
|
43.8
|
1.0
|
C8
|
D:A17
|
4.7
|
40.6
|
1.0
|
C6
|
D:A17
|
4.7
|
41.5
|
1.0
|
N6
|
C:A17
|
4.8
|
34.1
|
1.0
|
N3
|
D:U18
|
4.8
|
31.8
|
1.0
|
|
Manganese binding site 6 out
of 7 in 6ozq
Go back to
Manganese Binding Sites List in 6ozq
Manganese binding site 6 out
of 7 in the Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
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 Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn101
b:51.2
occ:0.50
|
MN
|
D:MN101
|
0.0
|
51.2
|
0.5
|
MN
|
D:MN101
|
2.4
|
52.6
|
0.5
|
O4
|
D:U18
|
3.8
|
38.1
|
1.0
|
C5
|
D:U18
|
4.3
|
33.6
|
1.0
|
C4
|
D:U18
|
4.3
|
36.6
|
1.0
|
O6
|
D:G19
|
4.4
|
43.8
|
1.0
|
O
|
D:HOH205
|
4.5
|
43.7
|
1.0
|
N7
|
D:G19
|
4.6
|
42.0
|
1.0
|
|
Manganese binding site 7 out
of 7 in 6ozq
Go back to
Manganese Binding Sites List in 6ozq
Manganese binding site 7 out
of 7 in the Crystal Structure of Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+
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 Mus Musculus (Mm) Endonuclease V (K155M) in Complex with A 23MER Rna Oligo Containing An Inosine After A 100 Min Soak in 10 Mm MN2+ and K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn102
b:49.3
occ:0.50
|
OP2
|
D:A13
|
1.9
|
54.4
|
1.0
|
O
|
B:HOH401
|
2.0
|
56.4
|
0.5
|
O
|
D:HOH210
|
2.0
|
53.2
|
0.5
|
O
|
D:HOH213
|
2.1
|
48.9
|
1.0
|
O
|
B:HOH441
|
2.2
|
45.1
|
0.5
|
O
|
B:HOH403
|
2.8
|
39.7
|
1.0
|
P
|
D:A13
|
3.2
|
46.1
|
1.0
|
O
|
D:HOH203
|
3.4
|
52.5
|
1.0
|
OP1
|
D:A13
|
3.8
|
53.2
|
1.0
|
NH1
|
B:ARG244
|
3.8
|
97.0
|
1.0
|
O3'
|
D:U12
|
4.0
|
41.9
|
1.0
|
O5'
|
D:U12
|
4.1
|
38.3
|
1.0
|
OP1
|
D:U12
|
4.2
|
45.3
|
1.0
|
C3'
|
D:U12
|
4.2
|
39.8
|
1.0
|
OP2
|
D:U12
|
4.4
|
40.0
|
1.0
|
O5'
|
D:A13
|
4.4
|
52.5
|
1.0
|
P
|
D:U12
|
4.4
|
45.0
|
1.0
|
OD1
|
B:ASP240
|
4.5
|
79.6
|
1.0
|
C5'
|
D:U12
|
4.5
|
41.5
|
1.0
|
CG
|
B:ASP240
|
4.8
|
68.0
|
1.0
|
C4'
|
D:U12
|
5.0
|
48.1
|
1.0
|
|
Reference:
J.Wu,
N.L.Samara,
I.Kuraoka,
W.Yang.
Evolution of Inosine-Specific Endonuclease V From Bacterial Dnase to Eukaryotic Rnase. Mol.Cell V. 76 44 2019.
ISSN: ISSN 1097-2765
PubMed: 31444105
DOI: 10.1016/J.MOLCEL.2019.06.046
Page generated: Sun Oct 6 05:48:06 2024
|