Magnesium in PDB 5j01: Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Protein crystallography data
The structure of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+., PDB code: 5j01
was solved by
M.Costa,
H.Walbott,
D.Monachello,
E.Westhof,
F.Michel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.76 /
3.39
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
100.930,
262.580,
69.040,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.4 /
23.4
|
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
30;
Page 4, Binding sites: 31 -
40;
Page 5, Binding sites: 41 -
42;
Binding sites:
The binding sites of Magnesium atom in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
(pdb code 5j01). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 42 binding sites of Magnesium where determined in the
Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+., PDB code: 5j01:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 1 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg501
b:0.9
occ:1.00
|
O2'
|
A:U419
|
1.8
|
98.8
|
1.0
|
OP1
|
A:C377
|
1.9
|
94.8
|
1.0
|
O3'
|
A:U419
|
1.9
|
99.4
|
1.0
|
OP2
|
A:G359
|
2.0
|
0.8
|
1.0
|
OP1
|
A:C358
|
2.0
|
89.9
|
1.0
|
O
|
A:HOH622
|
2.1
|
89.1
|
1.0
|
C2'
|
A:U419
|
2.6
|
0.5
|
1.0
|
C3'
|
A:U419
|
2.6
|
0.1
|
1.0
|
P
|
A:C377
|
3.1
|
91.2
|
1.0
|
C1'
|
A:U419
|
3.3
|
0.3
|
1.0
|
P
|
A:G359
|
3.4
|
0.6
|
1.0
|
P
|
A:C358
|
3.4
|
91.8
|
1.0
|
OP2
|
A:C377
|
3.6
|
87.5
|
1.0
|
O5'
|
A:C358
|
3.9
|
95.7
|
1.0
|
C5'
|
A:C358
|
3.9
|
97.7
|
1.0
|
C4'
|
A:U419
|
3.9
|
0.1
|
1.0
|
O5'
|
A:C377
|
4.0
|
85.7
|
1.0
|
OP1
|
A:G359
|
4.0
|
0.1
|
1.0
|
O4'
|
A:U419
|
4.2
|
99.0
|
1.0
|
O3'
|
A:A376
|
4.3
|
73.7
|
1.0
|
OP2
|
A:C358
|
4.3
|
88.7
|
1.0
|
O2
|
A:U419
|
4.3
|
0.9
|
1.0
|
O3'
|
A:C358
|
4.3
|
90.0
|
1.0
|
O5'
|
A:G359
|
4.3
|
74.8
|
1.0
|
O3'
|
A:C357
|
4.5
|
94.1
|
1.0
|
N1
|
A:U419
|
4.5
|
0.5
|
1.0
|
C2
|
A:U419
|
4.8
|
0.1
|
1.0
|
C3'
|
A:C358
|
4.8
|
96.1
|
1.0
|
C4'
|
A:C358
|
4.9
|
99.5
|
1.0
|
|
Magnesium binding site 2 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 2 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg502
b:97.3
occ:1.00
|
O
|
A:HOH673
|
2.1
|
78.5
|
1.0
|
O
|
A:HOH666
|
2.1
|
92.5
|
1.0
|
O
|
A:HOH656
|
2.1
|
71.9
|
1.0
|
O
|
A:HOH645
|
2.1
|
0.1
|
1.0
|
O
|
A:HOH752
|
2.1
|
0.2
|
1.0
|
OP2
|
A:U4
|
3.2
|
93.4
|
1.0
|
N7
|
A:G5
|
4.2
|
75.5
|
1.0
|
P
|
A:U4
|
4.4
|
95.3
|
1.0
|
OP2
|
A:U2
|
4.5
|
0.7
|
1.0
|
N7
|
A:A287
|
4.5
|
95.2
|
1.0
|
N1
|
A:A376
|
4.6
|
84.5
|
1.0
|
OP1
|
A:U4
|
4.7
|
95.5
|
1.0
|
O
|
A:HOH706
|
4.8
|
0.7
|
1.0
|
OP1
|
A:A287
|
4.8
|
93.2
|
1.0
|
C8
|
A:G5
|
4.9
|
74.9
|
1.0
|
O2
|
A:U2
|
4.9
|
0.6
|
1.0
|
C2
|
A:A376
|
4.9
|
83.3
|
1.0
|
C5'
|
A:U2
|
4.9
|
0.4
|
1.0
|
O5'
|
A:U4
|
5.0
|
73.7
|
1.0
|
|
Magnesium binding site 3 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 3 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg503
b:85.5
occ:1.00
|
O
|
A:HOH641
|
2.1
|
0.9
|
1.0
|
O
|
A:HOH615
|
2.1
|
0.6
|
1.0
|
O
|
A:HOH725
|
2.1
|
89.7
|
1.0
|
O4
|
A:U4
|
2.3
|
91.6
|
1.0
|
OP1
|
A:G3
|
2.3
|
92.1
|
1.0
|
C4
|
A:U4
|
3.4
|
96.0
|
1.0
|
OP2
|
A:A376
|
3.5
|
82.4
|
1.0
|
O6
|
A:G5
|
3.5
|
75.6
|
1.0
|
P
|
A:G3
|
3.6
|
97.1
|
1.0
|
OP2
|
A:G3
|
4.0
|
96.7
|
1.0
|
C5
|
A:U4
|
4.1
|
99.6
|
1.0
|
N7
|
A:G3
|
4.2
|
92.4
|
1.0
|
C6
|
A:G5
|
4.2
|
76.3
|
1.0
|
N1
|
A:G5
|
4.4
|
79.3
|
1.0
|
C2'
|
A:U2
|
4.5
|
0.8
|
1.0
|
N3
|
A:U4
|
4.5
|
98.4
|
1.0
|
O3'
|
A:U2
|
4.6
|
0.6
|
1.0
|
O5'
|
A:G3
|
4.6
|
85.2
|
1.0
|
O3'
|
A:U375
|
4.6
|
81.9
|
1.0
|
C3'
|
A:U2
|
4.6
|
0.1
|
1.0
|
P
|
A:A376
|
4.7
|
81.8
|
1.0
|
C8
|
A:G3
|
4.7
|
89.4
|
1.0
|
|
Magnesium binding site 4 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 4 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg504
b:0.8
occ:1.00
|
O
|
A:HOH689
|
2.1
|
0.2
|
1.0
|
O
|
A:HOH700
|
2.1
|
0.8
|
1.0
|
O
|
A:HOH749
|
2.1
|
0.3
|
1.0
|
O
|
A:HOH751
|
2.1
|
0.4
|
1.0
|
O
|
A:HOH738
|
2.1
|
77.8
|
1.0
|
O4
|
A:U379
|
3.7
|
99.8
|
1.0
|
O4
|
A:U363
|
4.2
|
0.3
|
1.0
|
OP1
|
A:G378
|
4.6
|
94.2
|
1.0
|
N6
|
A:A364
|
4.7
|
0.3
|
1.0
|
N7
|
A:G362
|
4.8
|
0.1
|
1.0
|
C4
|
A:U379
|
4.8
|
95.9
|
1.0
|
O6
|
A:G362
|
4.8
|
0.5
|
1.0
|
C5
|
A:C361
|
4.9
|
0.1
|
1.0
|
N4
|
A:C361
|
4.9
|
0.1
|
1.0
|
N7
|
A:G378
|
5.0
|
86.0
|
1.0
|
|
Magnesium binding site 5 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 5 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg505
b:0.6
occ:1.00
|
O
|
A:HOH680
|
2.1
|
0.5
|
1.0
|
O
|
A:HOH647
|
2.1
|
0.4
|
1.0
|
O
|
A:HOH711
|
2.1
|
0.3
|
1.0
|
O
|
A:HOH708
|
2.1
|
0.8
|
1.0
|
OP2
|
A:A355
|
2.2
|
1.0
|
1.0
|
OP2
|
A:A356
|
2.3
|
0.8
|
1.0
|
P
|
A:A355
|
3.3
|
0.6
|
1.0
|
O5'
|
A:A355
|
3.4
|
0.9
|
1.0
|
P
|
A:A356
|
3.7
|
0.6
|
1.0
|
OP1
|
A:A355
|
4.1
|
0.9
|
1.0
|
N7
|
A:A356
|
4.3
|
0.2
|
1.0
|
O5'
|
A:A356
|
4.3
|
0.1
|
1.0
|
OP1
|
A:A290
|
4.4
|
0.8
|
1.0
|
OP1
|
A:A356
|
4.4
|
0.3
|
1.0
|
C8
|
A:A356
|
4.6
|
0.5
|
1.0
|
O3'
|
A:G354
|
4.6
|
0.0
|
1.0
|
C5'
|
A:A355
|
4.6
|
0.7
|
1.0
|
O3'
|
A:A355
|
4.8
|
0.6
|
1.0
|
O5'
|
A:C289
|
4.8
|
0.8
|
1.0
|
C3'
|
A:C289
|
4.8
|
0.3
|
1.0
|
C2'
|
A:C289
|
4.9
|
0.9
|
1.0
|
C3'
|
A:A355
|
5.0
|
1.0
|
1.0
|
|
Magnesium binding site 6 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 6 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg506
b:0.4
occ:1.00
|
O
|
A:HOH688
|
2.1
|
0.8
|
1.0
|
O
|
A:HOH687
|
2.1
|
0.2
|
1.0
|
O
|
A:HOH667
|
2.1
|
0.8
|
1.0
|
O
|
A:HOH710
|
2.1
|
0.1
|
1.0
|
OP1
|
A:C368
|
2.1
|
0.5
|
1.0
|
OP1
|
A:U71
|
2.1
|
0.2
|
1.0
|
P
|
A:C368
|
3.3
|
0.4
|
1.0
|
P
|
A:U71
|
3.4
|
0.1
|
1.0
|
O3'
|
A:C367
|
3.5
|
93.2
|
1.0
|
O3'
|
A:C70
|
3.8
|
95.5
|
1.0
|
OP2
|
A:U71
|
4.2
|
0.6
|
1.0
|
OP2
|
A:C368
|
4.3
|
0.8
|
1.0
|
O5'
|
A:C368
|
4.4
|
94.5
|
1.0
|
C5'
|
A:C368
|
4.4
|
94.5
|
1.0
|
O5'
|
A:U71
|
4.6
|
0.6
|
1.0
|
C3'
|
A:C367
|
4.9
|
92.0
|
1.0
|
C5'
|
A:U71
|
4.9
|
0.6
|
1.0
|
|
Magnesium binding site 7 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 7 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg507
b:0.9
occ:1.00
|
O
|
A:HOH697
|
2.1
|
0.2
|
1.0
|
O
|
A:HOH665
|
2.1
|
60.6
|
1.0
|
O
|
A:HOH604
|
2.1
|
0.6
|
1.0
|
O
|
A:HOH619
|
2.1
|
82.2
|
1.0
|
O
|
A:HOH702
|
2.1
|
76.0
|
1.0
|
OP2
|
A:G113
|
3.8
|
0.0
|
1.0
|
N7
|
A:G114
|
4.0
|
0.6
|
1.0
|
OP2
|
A:U71
|
4.1
|
0.6
|
1.0
|
OP2
|
A:C112
|
4.1
|
0.3
|
1.0
|
O6
|
A:G114
|
4.5
|
0.7
|
1.0
|
N7
|
A:G113
|
4.8
|
0.0
|
1.0
|
C5
|
A:G114
|
4.9
|
0.7
|
1.0
|
C8
|
A:G114
|
5.0
|
0.2
|
1.0
|
|
Magnesium binding site 8 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 8 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg508
b:0.1
occ:1.00
|
OP2
|
A:A106
|
2.0
|
95.9
|
1.0
|
OP1
|
A:G107
|
2.0
|
89.1
|
1.0
|
O
|
A:HOH626
|
2.1
|
0.7
|
1.0
|
O
|
A:HOH644
|
2.1
|
69.4
|
1.0
|
O
|
A:HOH653
|
2.1
|
0.6
|
1.0
|
O
|
A:HOH664
|
2.1
|
88.8
|
1.0
|
P
|
A:G107
|
3.2
|
86.9
|
1.0
|
O3'
|
A:A106
|
3.3
|
0.6
|
1.0
|
P
|
A:A106
|
3.4
|
97.4
|
1.0
|
OP1
|
A:G108
|
4.1
|
76.5
|
1.0
|
OP2
|
A:G107
|
4.1
|
85.4
|
1.0
|
C5'
|
A:A106
|
4.1
|
0.2
|
1.0
|
C3'
|
A:A106
|
4.2
|
0.5
|
1.0
|
OP1
|
A:A106
|
4.2
|
93.2
|
1.0
|
O5'
|
A:A106
|
4.3
|
0.6
|
1.0
|
O3'
|
A:A105
|
4.3
|
0.2
|
1.0
|
O5'
|
A:G107
|
4.3
|
72.5
|
1.0
|
C5
|
A:C261
|
4.5
|
92.8
|
1.0
|
C4'
|
A:A106
|
4.6
|
0.5
|
1.0
|
C5'
|
A:G107
|
4.7
|
75.0
|
1.0
|
OP1
|
A:A109
|
4.8
|
84.8
|
1.0
|
C3'
|
A:A105
|
4.9
|
98.5
|
1.0
|
|
Magnesium binding site 9 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 9 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg509
b:0.4
occ:1.00
|
OP2
|
A:A105
|
1.7
|
0.5
|
1.0
|
O
|
A:HOH670
|
2.1
|
71.3
|
1.0
|
O
|
A:HOH603
|
2.1
|
58.9
|
1.0
|
P
|
A:A105
|
2.9
|
0.9
|
1.0
|
OP1
|
A:A106
|
3.4
|
93.2
|
1.0
|
OP1
|
A:A105
|
3.5
|
0.1
|
1.0
|
O3'
|
A:G104
|
3.6
|
0.3
|
1.0
|
O6
|
A:G111
|
3.9
|
86.8
|
1.0
|
O5'
|
A:A105
|
4.2
|
89.8
|
1.0
|
C5'
|
A:A105
|
4.6
|
92.5
|
1.0
|
O
|
A:HOH662
|
4.7
|
0.6
|
1.0
|
C3'
|
A:G104
|
4.7
|
99.3
|
1.0
|
N1
|
A:A77
|
4.9
|
0.1
|
1.0
|
P
|
A:A106
|
4.9
|
97.4
|
1.0
|
N4
|
A:C76
|
5.0
|
0.2
|
1.0
|
C6
|
A:G111
|
5.0
|
85.9
|
1.0
|
|
Magnesium binding site 10 out
of 42 in 5j01
Go back to
Magnesium Binding Sites List in 5j01
Magnesium binding site 10 out
of 42 in the Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+.
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Structure of the Lariat Form of A Chimeric Derivative of the Oceanobacillus Iheyensis Group II Intron in the Presence of NH4+ and MG2+. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg510
b:0.2
occ:1.00
|
O
|
A:HOH743
|
2.1
|
1.0
|
1.0
|
O
|
A:HOH614
|
2.1
|
0.4
|
1.0
|
O
|
A:HOH660
|
2.1
|
0.1
|
1.0
|
O
|
A:HOH712
|
2.1
|
0.2
|
1.0
|
O
|
A:HOH635
|
2.1
|
0.1
|
1.0
|
OP1
|
A:G111
|
2.2
|
93.4
|
1.0
|
P
|
A:G111
|
3.5
|
92.8
|
1.0
|
O5'
|
A:G111
|
3.6
|
90.3
|
1.0
|
OP1
|
A:C112
|
3.8
|
0.3
|
1.0
|
O2'
|
A:A110
|
4.1
|
97.2
|
1.0
|
C3'
|
A:A110
|
4.1
|
97.3
|
1.0
|
O2
|
A:U13
|
4.2
|
0.5
|
1.0
|
O3'
|
A:A110
|
4.2
|
95.5
|
1.0
|
P
|
A:C112
|
4.4
|
0.5
|
1.0
|
OP2
|
A:C112
|
4.4
|
0.3
|
1.0
|
C2'
|
A:A110
|
4.4
|
97.1
|
1.0
|
O3'
|
A:G111
|
4.5
|
92.6
|
1.0
|
O2'
|
A:U13
|
4.6
|
0.5
|
1.0
|
OP2
|
A:G111
|
4.7
|
88.7
|
1.0
|
O3'
|
A:U13
|
4.7
|
0.8
|
1.0
|
|
Reference:
M.Costa,
H.Walbott,
D.Monachello,
E.Westhof,
F.Michel.
Crystal Structures of A Group II Intron Lariat Primed For Reverse Splicing. Science V. 354 2016.
ISSN: ESSN 1095-9203
PubMed: 27934709
DOI: 10.1126/SCIENCE.AAF9258
Page generated: Sun Sep 29 17:10:07 2024
|