Magnesium in PDB 8ols: Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Protein crystallography data
The structure of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B, PDB code: 8ols
was solved by
I.Silvestri,
M.Marcia,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.69 /
3.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.016,
94.961,
223.855,
90,
90,
90
|
R / Rfree (%)
|
18.9 /
24.2
|
Other elements in 8ols:
The structure of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B also contains other interesting chemical elements:
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
24;
Binding sites:
The binding sites of Magnesium atom in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
(pdb code 8ols). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 24 binding sites of Magnesium where determined in the
Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B, PDB code: 8ols:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 24 in 8ols
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Magnesium Binding Sites List in 8ols
Magnesium binding site 1 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg401
b:118.8
occ:1.00
|
OP2
|
A:C145
|
2.0
|
131.8
|
1.0
|
P
|
A:C145
|
3.5
|
167.3
|
1.0
|
O5'
|
A:C145
|
3.9
|
163.9
|
1.0
|
O6
|
A:G136
|
4.0
|
143.9
|
1.0
|
N2
|
A:G142
|
4.1
|
198.6
|
1.0
|
OP1
|
A:C145
|
4.3
|
186.1
|
1.0
|
OP2
|
A:A134
|
4.3
|
132.9
|
1.0
|
N1
|
A:G142
|
4.5
|
215.7
|
1.0
|
O3'
|
A:A144
|
4.7
|
168.0
|
1.0
|
O6
|
A:G135
|
4.7
|
157.1
|
1.0
|
C2
|
A:G142
|
4.9
|
199.7
|
1.0
|
OP2
|
A:U146
|
4.9
|
106.3
|
1.0
|
|
Magnesium binding site 2 out
of 24 in 8ols
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Magnesium Binding Sites List in 8ols
Magnesium binding site 2 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg402
b:97.2
occ:1.00
|
OP2
|
A:C377
|
2.0
|
105.4
|
1.0
|
O26
|
A:VTE447
|
2.0
|
111.7
|
1.0
|
OP1
|
A:U375
|
2.0
|
89.9
|
1.0
|
O24
|
A:VTE447
|
2.0
|
111.6
|
1.0
|
C23
|
A:VTE447
|
2.7
|
117.0
|
1.0
|
C25
|
A:VTE447
|
2.8
|
114.7
|
1.0
|
P
|
A:C377
|
3.3
|
115.2
|
1.0
|
P
|
A:U375
|
3.5
|
121.2
|
1.0
|
MG
|
A:MG403
|
3.6
|
106.3
|
1.0
|
OP1
|
A:C377
|
3.8
|
92.1
|
1.0
|
OP1
|
A:G359
|
3.9
|
161.3
|
1.0
|
O5'
|
A:C377
|
4.0
|
103.9
|
1.0
|
C21
|
A:VTE447
|
4.0
|
122.8
|
1.0
|
O3'
|
A:G374
|
4.2
|
139.0
|
1.0
|
C27
|
A:VTE447
|
4.2
|
119.8
|
1.0
|
O5'
|
A:U375
|
4.3
|
125.5
|
1.0
|
O3'
|
A:A376
|
4.4
|
107.3
|
1.0
|
O22
|
A:VTE447
|
4.5
|
113.0
|
1.0
|
C5'
|
A:A376
|
4.5
|
118.0
|
1.0
|
C3'
|
A:A376
|
4.5
|
117.0
|
1.0
|
OP2
|
A:U375
|
4.5
|
138.6
|
1.0
|
C4'
|
A:A376
|
4.6
|
123.3
|
1.0
|
OP2
|
A:G359
|
4.7
|
111.0
|
1.0
|
C5'
|
A:C377
|
4.8
|
95.3
|
1.0
|
P
|
A:G359
|
4.8
|
121.6
|
1.0
|
|
Magnesium binding site 3 out
of 24 in 8ols
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Magnesium Binding Sites List in 8ols
Magnesium binding site 3 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg403
b:106.3
occ:1.00
|
OP1
|
A:C358
|
2.0
|
144.1
|
1.0
|
OP1
|
A:C377
|
2.0
|
92.1
|
1.0
|
O24
|
A:VTE447
|
2.0
|
111.6
|
1.0
|
O22
|
A:VTE447
|
2.0
|
113.0
|
1.0
|
OP2
|
A:G359
|
2.6
|
111.0
|
1.0
|
C23
|
A:VTE447
|
2.9
|
117.0
|
1.0
|
C21
|
A:VTE447
|
2.9
|
122.8
|
1.0
|
P
|
A:C377
|
3.1
|
115.2
|
1.0
|
P
|
A:C358
|
3.3
|
129.2
|
1.0
|
OP2
|
A:C377
|
3.5
|
105.4
|
1.0
|
MG
|
A:MG402
|
3.6
|
97.2
|
1.0
|
O
|
A:HOH504
|
3.7
|
91.2
|
1.0
|
P
|
A:G359
|
3.8
|
121.6
|
1.0
|
OP2
|
A:C358
|
3.9
|
95.5
|
1.0
|
OP1
|
A:G359
|
4.1
|
161.3
|
1.0
|
C25
|
A:VTE447
|
4.1
|
114.7
|
1.0
|
O5'
|
A:C377
|
4.2
|
103.9
|
1.0
|
O5'
|
A:C358
|
4.2
|
128.8
|
1.0
|
O3'
|
A:A376
|
4.3
|
107.3
|
1.0
|
C20
|
A:VTE447
|
4.3
|
132.7
|
1.0
|
K
|
A:K437
|
4.4
|
111.0
|
1.0
|
O3'
|
A:C357
|
4.5
|
123.5
|
1.0
|
C5'
|
A:C358
|
4.6
|
131.1
|
1.0
|
O26
|
A:VTE447
|
4.7
|
111.7
|
1.0
|
O3'
|
A:C358
|
4.8
|
131.0
|
1.0
|
O5'
|
A:G359
|
4.9
|
110.7
|
1.0
|
|
Magnesium binding site 4 out
of 24 in 8ols
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Magnesium Binding Sites List in 8ols
Magnesium binding site 4 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg404
b:130.4
occ:1.00
|
OP2
|
A:U4
|
2.0
|
141.9
|
1.0
|
OP1
|
A:G3
|
2.6
|
158.1
|
1.0
|
P
|
A:U4
|
3.5
|
112.2
|
1.0
|
P
|
A:G3
|
4.2
|
142.9
|
1.0
|
O3'
|
A:G3
|
4.4
|
106.6
|
1.0
|
O5'
|
A:U4
|
4.4
|
85.8
|
1.0
|
OP1
|
A:U4
|
4.4
|
125.8
|
1.0
|
O6
|
A:G5
|
4.7
|
107.9
|
1.0
|
N7
|
A:G5
|
4.8
|
113.8
|
1.0
|
C3'
|
A:G3
|
4.9
|
101.8
|
1.0
|
O5'
|
A:G3
|
4.9
|
146.4
|
1.0
|
C2
|
A:A376
|
4.9
|
105.3
|
1.0
|
O3'
|
A:U2
|
5.0
|
157.8
|
1.0
|
OP2
|
A:G3
|
5.0
|
124.9
|
1.0
|
|
Magnesium binding site 5 out
of 24 in 8ols
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Magnesium Binding Sites List in 8ols
Magnesium binding site 5 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg405
b:109.8
occ:1.00
|
OP2
|
A:G374
|
2.0
|
119.0
|
1.0
|
OP1
|
A:C360
|
2.1
|
131.2
|
1.0
|
P
|
A:G374
|
3.5
|
131.8
|
1.0
|
P
|
A:C360
|
3.5
|
119.7
|
1.0
|
O5'
|
A:C360
|
4.2
|
145.3
|
1.0
|
OP1
|
A:G374
|
4.2
|
123.5
|
1.0
|
O5'
|
A:G373
|
4.3
|
109.6
|
1.0
|
O3'
|
A:G373
|
4.3
|
113.6
|
1.0
|
C3'
|
A:G373
|
4.3
|
115.8
|
1.0
|
OP2
|
A:C360
|
4.4
|
108.9
|
1.0
|
C5'
|
A:G374
|
4.4
|
120.8
|
1.0
|
O5'
|
A:G374
|
4.5
|
121.0
|
1.0
|
O3'
|
A:G359
|
4.6
|
102.0
|
1.0
|
OP1
|
A:G373
|
4.6
|
182.8
|
1.0
|
P
|
A:G373
|
4.7
|
137.5
|
1.0
|
C5'
|
A:C360
|
4.8
|
145.2
|
1.0
|
OP2
|
A:G373
|
4.8
|
124.2
|
1.0
|
|
Magnesium binding site 6 out
of 24 in 8ols
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Magnesium Binding Sites List in 8ols
Magnesium binding site 6 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg406
b:125.1
occ:1.00
|
O6
|
A:G325
|
2.0
|
164.1
|
1.0
|
O
|
A:HOH501
|
3.1
|
108.6
|
1.0
|
C6
|
A:G325
|
3.2
|
159.0
|
1.0
|
O6
|
A:G324
|
3.3
|
124.0
|
1.0
|
N7
|
A:G324
|
3.4
|
180.8
|
1.0
|
C6
|
A:G324
|
3.9
|
148.7
|
1.0
|
C5
|
A:G324
|
4.0
|
166.6
|
1.0
|
N1
|
A:G325
|
4.1
|
159.9
|
1.0
|
C5
|
A:G325
|
4.2
|
170.4
|
1.0
|
OP2
|
A:C323
|
4.4
|
132.5
|
1.0
|
C8
|
A:G324
|
4.5
|
193.5
|
1.0
|
N7
|
A:G325
|
4.6
|
203.5
|
1.0
|
OP2
|
A:G324
|
4.6
|
141.0
|
1.0
|
|
Magnesium binding site 7 out
of 24 in 8ols
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Magnesium Binding Sites List in 8ols
Magnesium binding site 7 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg407
b:113.5
occ:1.00
|
O6
|
A:G46
|
3.0
|
90.0
|
1.0
|
O4
|
A:U47
|
3.1
|
83.8
|
1.0
|
OP2
|
A:U59
|
3.6
|
91.4
|
1.0
|
C6
|
A:G46
|
3.8
|
93.6
|
1.0
|
N7
|
A:G46
|
3.8
|
106.3
|
1.0
|
C4
|
A:U47
|
4.1
|
88.8
|
1.0
|
O2'
|
A:G58
|
4.1
|
85.0
|
1.0
|
C5
|
A:G46
|
4.1
|
98.7
|
1.0
|
OP1
|
A:U59
|
4.3
|
78.4
|
1.0
|
O6
|
A:G48
|
4.3
|
89.0
|
1.0
|
O4
|
A:U45
|
4.4
|
99.3
|
1.0
|
P
|
A:U59
|
4.5
|
95.9
|
1.0
|
N1
|
A:G48
|
4.5
|
84.9
|
1.0
|
C5
|
A:U47
|
4.5
|
93.5
|
1.0
|
N6
|
A:A61
|
4.6
|
84.1
|
1.0
|
C6
|
A:G48
|
4.6
|
75.9
|
1.0
|
C4
|
A:U45
|
4.9
|
104.9
|
1.0
|
N1
|
A:G46
|
5.0
|
80.2
|
1.0
|
C8
|
A:G46
|
5.0
|
100.5
|
1.0
|
|
Magnesium binding site 8 out
of 24 in 8ols
Go back to
Magnesium Binding Sites List in 8ols
Magnesium binding site 8 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg408
b:89.3
occ:1.00
|
OP1
|
A:G107
|
2.0
|
103.8
|
1.0
|
P
|
A:G107
|
3.5
|
108.5
|
1.0
|
O3'
|
A:A106
|
4.1
|
125.0
|
1.0
|
N7
|
A:A105
|
4.1
|
110.0
|
1.0
|
OP1
|
A:G108
|
4.1
|
101.8
|
1.0
|
C8
|
A:A105
|
4.3
|
108.1
|
1.0
|
OP2
|
A:A105
|
4.4
|
121.0
|
1.0
|
C5'
|
A:G107
|
4.5
|
91.4
|
1.0
|
O5'
|
A:G107
|
4.5
|
91.0
|
1.0
|
OP2
|
A:G107
|
4.5
|
81.5
|
1.0
|
OP2
|
A:A106
|
4.9
|
111.7
|
1.0
|
|
Magnesium binding site 9 out
of 24 in 8ols
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Magnesium Binding Sites List in 8ols
Magnesium binding site 9 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg409
b:111.5
occ:1.00
|
OP2
|
A:C372
|
2.0
|
192.6
|
1.0
|
P
|
A:C372
|
3.5
|
152.3
|
1.0
|
O6
|
A:G373
|
3.7
|
108.6
|
1.0
|
OP2
|
A:A371
|
3.8
|
108.2
|
1.0
|
N7
|
A:G373
|
4.3
|
111.6
|
1.0
|
OP1
|
A:A371
|
4.4
|
152.3
|
1.0
|
O3'
|
A:A371
|
4.4
|
131.4
|
1.0
|
OP1
|
A:C372
|
4.4
|
125.9
|
1.0
|
P
|
A:A371
|
4.4
|
143.8
|
1.0
|
O5'
|
A:C372
|
4.5
|
102.7
|
1.0
|
C6
|
A:G373
|
4.6
|
95.8
|
1.0
|
C3'
|
A:A371
|
4.8
|
137.9
|
1.0
|
O5'
|
A:A371
|
4.8
|
171.9
|
1.0
|
C5
|
A:G373
|
4.9
|
98.3
|
1.0
|
O6
|
A:G374
|
4.9
|
88.6
|
1.0
|
|
Magnesium binding site 10 out
of 24 in 8ols
Go back to
Magnesium Binding Sites List in 8ols
Magnesium binding site 10 out
of 24 in the Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Structure of Oceanobacillus Iheyensis Group II Intron in the Presence of K+, MG2+ and Intronistat B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg410
b:104.6
occ:1.00
|
O6
|
A:G362
|
4.0
|
135.0
|
1.0
|
O4
|
A:U379
|
4.0
|
111.0
|
1.0
|
O4
|
A:U363
|
4.1
|
158.0
|
1.0
|
N7
|
A:G362
|
4.4
|
149.9
|
1.0
|
N6
|
A:A380
|
4.5
|
131.0
|
1.0
|
OP1
|
A:G378
|
4.6
|
107.1
|
1.0
|
C6
|
A:G362
|
4.7
|
156.4
|
1.0
|
N6
|
A:A364
|
4.8
|
133.4
|
1.0
|
C5
|
A:G362
|
4.9
|
162.2
|
1.0
|
N4
|
A:C361
|
5.0
|
131.2
|
1.0
|
C4
|
A:C361
|
5.0
|
132.5
|
1.0
|
|
Reference:
I.Silvestri,
J.Manigrasso,
A.Andreani,
N.Brindani,
C.Mas,
J.B.Reiser,
P.Vidossich,
G.Martino,
A.Mccarthy,
M.De Vivo,
M.Marcia.
Targeting the Conserved Active Site of Splicing Machines with Specific and Selective Small Molecule Modulators Nat Commun 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-48697-0
Page generated: Fri Oct 4 14:52:29 2024
|