Magnesium in PDB 7tji: S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain
Magnesium Binding Sites:
The binding sites of Magnesium atom in the S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain
(pdb code 7tji). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain, PDB code: 7tji:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 7tji
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Magnesium Binding Sites List in 7tji
Magnesium binding site 1 out
of 4 in the S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1002
b:58.5
occ:1.00
|
OG1
|
A:THR486
|
2.1
|
55.6
|
1.0
|
O1B
|
A:ATP1001
|
2.1
|
62.2
|
1.0
|
O2G
|
A:ATP1001
|
2.1
|
62.2
|
1.0
|
O
|
A:HOH1102
|
2.1
|
56.5
|
1.0
|
O
|
A:HOH1111
|
2.3
|
56.1
|
1.0
|
O
|
A:HOH1109
|
2.5
|
59.0
|
1.0
|
PB
|
A:ATP1001
|
3.3
|
62.2
|
1.0
|
CB
|
A:THR486
|
3.4
|
55.6
|
1.0
|
PG
|
A:ATP1001
|
3.4
|
62.2
|
1.0
|
O3B
|
A:ATP1001
|
3.5
|
62.2
|
1.0
|
NH2
|
D:ARG267
|
3.7
|
55.5
|
1.0
|
OE2
|
A:GLU567
|
3.9
|
60.2
|
1.0
|
OD2
|
A:ASP566
|
3.9
|
58.6
|
1.0
|
O1A
|
A:ATP1001
|
4.0
|
62.2
|
1.0
|
OD1
|
A:ASP566
|
4.0
|
58.6
|
1.0
|
O3A
|
A:ATP1001
|
4.0
|
62.2
|
1.0
|
O3G
|
A:ATP1001
|
4.1
|
62.2
|
1.0
|
CG2
|
A:THR486
|
4.1
|
55.6
|
1.0
|
N
|
A:THR486
|
4.3
|
55.6
|
1.0
|
CG
|
A:ASP566
|
4.3
|
58.6
|
1.0
|
CA
|
A:THR486
|
4.4
|
55.6
|
1.0
|
PA
|
A:ATP1001
|
4.5
|
62.2
|
1.0
|
NH2
|
A:ARG704
|
4.5
|
59.2
|
1.0
|
O
|
A:HOH1114
|
4.5
|
60.9
|
1.0
|
O1G
|
A:ATP1001
|
4.5
|
62.2
|
1.0
|
O2B
|
A:ATP1001
|
4.5
|
62.2
|
1.0
|
O2A
|
A:ATP1001
|
4.8
|
62.2
|
1.0
|
CD
|
A:GLU567
|
4.9
|
60.2
|
1.0
|
CZ
|
D:ARG267
|
4.9
|
55.5
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 7tji
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Magnesium Binding Sites List in 7tji
Magnesium binding site 2 out
of 4 in the S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1002
b:48.9
occ:1.00
|
OG1
|
D:THR109
|
2.0
|
52.6
|
1.0
|
O2G
|
D:ATP1001
|
2.1
|
42.7
|
1.0
|
O
|
E:HOH1109
|
2.1
|
52.5
|
1.0
|
O
|
E:HOH1107
|
2.2
|
55.5
|
1.0
|
O
|
D:HOH1122
|
2.3
|
54.2
|
1.0
|
O1B
|
D:ATP1001
|
2.6
|
42.7
|
1.0
|
CB
|
D:THR109
|
3.2
|
52.6
|
1.0
|
O3B
|
D:ATP1001
|
3.3
|
42.7
|
1.0
|
PG
|
D:ATP1001
|
3.3
|
42.7
|
1.0
|
PB
|
D:ATP1001
|
3.5
|
42.7
|
1.0
|
OE2
|
E:GLU154
|
3.9
|
56.0
|
1.0
|
O
|
D:HOH1106
|
3.9
|
55.8
|
1.0
|
NZ
|
E:LYS151
|
3.9
|
53.0
|
1.0
|
CG2
|
D:THR109
|
4.1
|
52.6
|
1.0
|
O
|
D:HOH1103
|
4.1
|
54.6
|
1.0
|
N
|
D:THR109
|
4.2
|
52.6
|
1.0
|
O3G
|
D:ATP1001
|
4.2
|
42.7
|
1.0
|
O1G
|
D:ATP1001
|
4.2
|
42.7
|
1.0
|
OD1
|
D:ASP217
|
4.2
|
57.1
|
1.0
|
CA
|
D:THR109
|
4.3
|
52.6
|
1.0
|
OE1
|
E:GLU154
|
4.3
|
56.0
|
1.0
|
O3A
|
D:ATP1001
|
4.3
|
42.7
|
1.0
|
CE
|
E:LYS151
|
4.4
|
53.0
|
1.0
|
CD
|
E:GLU154
|
4.5
|
56.0
|
1.0
|
O1A
|
D:ATP1001
|
4.5
|
42.7
|
1.0
|
CG
|
D:ASP217
|
4.6
|
57.1
|
1.0
|
O2A
|
D:ATP1001
|
4.7
|
42.7
|
1.0
|
PA
|
D:ATP1001
|
4.7
|
42.7
|
1.0
|
O2B
|
D:ATP1001
|
4.8
|
42.7
|
1.0
|
OD2
|
D:ASP217
|
4.9
|
57.1
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 7tji
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Magnesium Binding Sites List in 7tji
Magnesium binding site 3 out
of 4 in the S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg1002
b:52.5
occ:1.00
|
OG1
|
E:THR44
|
2.1
|
51.4
|
1.0
|
O3G
|
E:ATP1001
|
2.1
|
56.0
|
1.0
|
O
|
E:HOH1105
|
2.1
|
56.9
|
1.0
|
O
|
E:HOH1114
|
2.1
|
55.8
|
1.0
|
O
|
E:HOH1126
|
2.4
|
56.0
|
1.0
|
O2B
|
E:ATP1001
|
2.6
|
56.0
|
1.0
|
CB
|
E:THR44
|
3.3
|
51.4
|
1.0
|
PG
|
E:ATP1001
|
3.4
|
56.0
|
1.0
|
OD1
|
E:ASP133
|
3.6
|
53.0
|
1.0
|
O3B
|
E:ATP1001
|
3.6
|
56.0
|
1.0
|
PB
|
E:ATP1001
|
3.7
|
56.0
|
1.0
|
O
|
E:HOH1117
|
3.8
|
59.1
|
1.0
|
CG2
|
E:THR44
|
4.0
|
51.4
|
1.0
|
O1G
|
E:ATP1001
|
4.1
|
56.0
|
1.0
|
CG
|
E:ASP133
|
4.3
|
53.0
|
1.0
|
O1A
|
E:ATP1001
|
4.4
|
56.0
|
1.0
|
OD2
|
E:ASP133
|
4.4
|
53.0
|
1.0
|
N
|
E:THR44
|
4.4
|
51.4
|
1.0
|
CA
|
E:THR44
|
4.4
|
51.4
|
1.0
|
O2G
|
E:ATP1001
|
4.5
|
56.0
|
1.0
|
O3A
|
E:ATP1001
|
4.5
|
56.0
|
1.0
|
O1B
|
E:ATP1001
|
4.8
|
56.0
|
1.0
|
PA
|
E:ATP1001
|
4.9
|
56.0
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 7tji
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Magnesium Binding Sites List in 7tji
Magnesium binding site 4 out
of 4 in the S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of S. Cerevisiae Orc Bound to 84 Bp ARS1 Dna and CDC6 (State 2) with Flexible ORC6 N-Terminal Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg1002
b:74.3
occ:1.00
|
O
|
I:HOH1104
|
2.1
|
73.5
|
1.0
|
O
|
I:HOH1102
|
2.1
|
72.5
|
1.0
|
O2B
|
I:ATP1001
|
2.2
|
73.3
|
1.0
|
OG1
|
I:THR115
|
2.2
|
75.5
|
1.0
|
O3G
|
I:ATP1001
|
2.2
|
73.3
|
1.0
|
O
|
I:HOH1101
|
2.2
|
72.6
|
1.0
|
CB
|
I:THR115
|
2.8
|
75.5
|
1.0
|
PG
|
I:ATP1001
|
3.4
|
73.3
|
1.0
|
PB
|
I:ATP1001
|
3.4
|
73.3
|
1.0
|
O3B
|
I:ATP1001
|
3.6
|
73.3
|
1.0
|
O1A
|
I:ATP1001
|
3.8
|
73.3
|
1.0
|
N
|
I:THR115
|
3.8
|
75.5
|
1.0
|
CG2
|
I:THR115
|
3.8
|
75.5
|
1.0
|
CA
|
I:THR115
|
3.8
|
75.5
|
1.0
|
OD2
|
I:ASP223
|
4.0
|
86.3
|
1.0
|
NH2
|
A:ARG616
|
4.0
|
63.7
|
1.0
|
O1G
|
I:ATP1001
|
4.0
|
73.3
|
1.0
|
O3A
|
I:ATP1001
|
4.1
|
73.3
|
1.0
|
OD1
|
I:ASP223
|
4.2
|
86.3
|
1.0
|
PA
|
I:ATP1001
|
4.3
|
73.3
|
1.0
|
OE2
|
I:GLU224
|
4.4
|
85.4
|
1.0
|
O2A
|
I:ATP1001
|
4.5
|
73.3
|
1.0
|
CG
|
I:ASP223
|
4.5
|
86.3
|
1.0
|
O1B
|
I:ATP1001
|
4.6
|
73.3
|
1.0
|
O2G
|
I:ATP1001
|
4.6
|
73.3
|
1.0
|
NH2
|
I:ARG332
|
4.9
|
69.7
|
1.0
|
C
|
I:LYS114
|
5.0
|
73.6
|
1.0
|
|
Reference:
J.M.Schmidt,
R.Yang,
A.Kumar,
O.Hunker,
J.Seebacher,
F.Bleichert.
A Mechanism of Origin Licensing Control Through Autoinhibition of S. Cerevisiae Orc·Dna·CDC6. Nat Commun V. 13 1059 2022.
ISSN: ESSN 2041-1723
PubMed: 35217664
DOI: 10.1038/S41467-022-28695-W
Page generated: Thu Oct 3 09:19:06 2024
|