Magnesium in PDB 3cul: Aminoacyl-Trna Synthetase Ribozyme
Protein crystallography data
The structure of Aminoacyl-Trna Synthetase Ribozyme, PDB code: 3cul
was solved by
H.Xiao,
H.Murakami,
H.Suga,
A.R.Ferre-D'amare,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.57 /
2.80
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
192.151,
48.725,
90.515,
90.00,
93.50,
90.00
|
R / Rfree (%)
|
22.7 /
28.3
|
Other elements in 3cul:
The structure of Aminoacyl-Trna Synthetase Ribozyme also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Aminoacyl-Trna Synthetase Ribozyme
(pdb code 3cul). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the
Aminoacyl-Trna Synthetase Ribozyme, PDB code: 3cul:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 1 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg501
b:63.5
occ:1.00
|
O
|
C:HOH601
|
1.9
|
59.2
|
1.0
|
O6
|
C:G5
|
3.7
|
75.6
|
1.0
|
O6
|
C:G6
|
4.1
|
58.0
|
1.0
|
N7
|
C:G6
|
4.1
|
56.0
|
1.0
|
C6
|
C:G5
|
4.3
|
69.3
|
1.0
|
N7
|
C:G5
|
4.3
|
69.8
|
1.0
|
N4
|
C:C7
|
4.4
|
60.4
|
1.0
|
C5
|
C:G5
|
4.6
|
70.8
|
1.0
|
O6
|
C:G8
|
4.7
|
80.8
|
1.0
|
C6
|
C:G6
|
4.8
|
53.3
|
1.0
|
C5
|
C:G6
|
4.8
|
54.5
|
1.0
|
|
Magnesium binding site 2 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 2 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg503
b:72.1
occ:1.00
|
O
|
C:HOH602
|
1.9
|
87.8
|
1.0
|
O
|
C:HOH603
|
2.0
|
70.5
|
1.0
|
N7
|
C:G24
|
3.9
|
83.2
|
1.0
|
OP2
|
C:A23
|
4.0
|
71.3
|
1.0
|
C8
|
C:G24
|
4.2
|
83.7
|
1.0
|
OP2
|
C:G24
|
4.3
|
82.9
|
1.0
|
N1
|
C:A45
|
4.3
|
0.4
|
1.0
|
N7
|
C:G25
|
4.4
|
68.6
|
1.0
|
N6
|
C:A45
|
4.6
|
0.1
|
1.0
|
O6
|
C:G25
|
4.6
|
70.1
|
1.0
|
C6
|
C:A45
|
4.9
|
0.7
|
1.0
|
N4
|
C:C26
|
4.9
|
76.0
|
1.0
|
|
Magnesium binding site 3 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 3 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg505
b:82.4
occ:1.00
|
O4
|
C:U71
|
2.0
|
0.6
|
1.0
|
OP2
|
C:U70
|
2.1
|
93.0
|
1.0
|
C4
|
C:U71
|
2.8
|
0.2
|
1.0
|
C5
|
C:U71
|
3.1
|
0.7
|
1.0
|
P
|
C:U70
|
3.5
|
96.5
|
1.0
|
N3
|
C:U71
|
4.2
|
0.8
|
1.0
|
O5'
|
C:U70
|
4.2
|
97.7
|
1.0
|
C5
|
C:U70
|
4.3
|
91.0
|
1.0
|
OP1
|
C:U70
|
4.4
|
96.8
|
1.0
|
O3'
|
C:G69
|
4.5
|
91.8
|
1.0
|
C6
|
C:U71
|
4.5
|
0.5
|
1.0
|
O5'
|
C:G69
|
4.7
|
96.4
|
1.0
|
C3'
|
C:G69
|
4.7
|
91.9
|
1.0
|
C6
|
C:U70
|
4.7
|
91.1
|
1.0
|
OP2
|
C:A74
|
5.0
|
88.8
|
1.0
|
|
Magnesium binding site 4 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 4 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg506
b:89.5
occ:1.00
|
O
|
C:HOH604
|
2.0
|
62.4
|
1.0
|
OP2
|
C:A75
|
3.6
|
0.2
|
1.0
|
O6
|
C:G68
|
4.2
|
85.6
|
1.0
|
N7
|
C:G68
|
4.2
|
85.6
|
1.0
|
O4
|
C:U70
|
4.6
|
91.9
|
1.0
|
P
|
C:A75
|
4.6
|
0.6
|
1.0
|
OP1
|
C:A75
|
4.7
|
0.3
|
1.0
|
O6
|
C:G69
|
4.7
|
76.1
|
1.0
|
N7
|
C:G69
|
4.9
|
77.0
|
1.0
|
C6
|
C:G68
|
4.9
|
84.3
|
1.0
|
C5
|
C:G68
|
5.0
|
85.5
|
1.0
|
|
Magnesium binding site 5 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 5 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg507
b:68.4
occ:1.00
|
O
|
C:HOH609
|
2.0
|
83.4
|
1.0
|
O2B
|
C:GTP1
|
2.1
|
89.9
|
1.0
|
OP2
|
C:G2
|
2.7
|
79.1
|
1.0
|
PB
|
C:GTP1
|
3.1
|
87.0
|
1.0
|
O2A
|
C:GTP1
|
3.2
|
86.2
|
1.0
|
O3A
|
C:GTP1
|
3.2
|
90.0
|
1.0
|
P
|
C:G2
|
3.6
|
81.8
|
1.0
|
O3B
|
C:GTP1
|
3.7
|
98.4
|
1.0
|
PA
|
C:GTP1
|
3.8
|
84.7
|
1.0
|
O3G
|
C:GTP1
|
4.1
|
0.9
|
1.0
|
O5'
|
C:G2
|
4.2
|
80.2
|
1.0
|
N7
|
C:G2
|
4.4
|
76.9
|
1.0
|
O3'
|
C:GTP1
|
4.4
|
81.8
|
1.0
|
C3'
|
C:GTP1
|
4.4
|
75.0
|
1.0
|
O1B
|
C:GTP1
|
4.5
|
85.3
|
1.0
|
PG
|
C:GTP1
|
4.6
|
0.0
|
1.0
|
C5'
|
C:GTP1
|
4.6
|
74.1
|
1.0
|
O5'
|
C:GTP1
|
4.6
|
89.2
|
1.0
|
C8
|
C:G2
|
4.7
|
76.9
|
1.0
|
N7
|
C:A3
|
4.7
|
72.0
|
1.0
|
N6
|
C:A3
|
4.8
|
69.5
|
1.0
|
OP1
|
C:G2
|
4.9
|
86.8
|
1.0
|
|
Magnesium binding site 6 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 6 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg508
b:1.0
occ:1.00
|
OP1
|
C:C22
|
3.6
|
74.8
|
1.0
|
P
|
C:C22
|
4.6
|
70.0
|
1.0
|
OP2
|
C:C22
|
4.7
|
68.1
|
1.0
|
OP2
|
C:G42
|
4.8
|
79.3
|
1.0
|
OP2
|
C:A23
|
4.9
|
71.3
|
1.0
|
|
Magnesium binding site 7 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 7 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg509
b:95.4
occ:1.00
|
OP2
|
C:G8
|
2.3
|
85.1
|
1.0
|
OP2
|
C:C7
|
2.8
|
70.2
|
1.0
|
O5'
|
C:C7
|
3.2
|
71.0
|
1.0
|
N7
|
C:G8
|
3.5
|
85.0
|
1.0
|
P
|
C:C7
|
3.5
|
73.8
|
1.0
|
P
|
C:G8
|
3.6
|
88.4
|
1.0
|
C3'
|
C:C7
|
3.7
|
75.4
|
1.0
|
C6
|
C:C7
|
3.7
|
58.0
|
1.0
|
C8
|
C:G8
|
3.9
|
84.9
|
1.0
|
C5
|
C:C7
|
3.9
|
56.6
|
1.0
|
C5'
|
C:C7
|
4.0
|
67.5
|
1.0
|
O3'
|
C:C7
|
4.0
|
85.9
|
1.0
|
O5'
|
C:G8
|
4.2
|
85.1
|
1.0
|
C4'
|
C:C7
|
4.3
|
71.1
|
1.0
|
OP1
|
C:C7
|
4.4
|
69.9
|
1.0
|
N1
|
C:C7
|
4.6
|
63.6
|
1.0
|
C5
|
C:G8
|
4.8
|
83.4
|
1.0
|
C2'
|
C:C7
|
4.8
|
73.0
|
1.0
|
O3'
|
C:G6
|
4.8
|
76.7
|
1.0
|
O4'
|
C:C7
|
4.8
|
70.8
|
1.0
|
OP1
|
C:G8
|
4.9
|
87.4
|
1.0
|
C4
|
C:C7
|
5.0
|
57.4
|
1.0
|
|
Magnesium binding site 8 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 8 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg510
b:61.1
occ:1.00
|
O1B
|
C:GTP1
|
2.4
|
85.3
|
1.0
|
O1G
|
C:GTP1
|
2.8
|
0.1
|
1.0
|
O3G
|
C:GTP1
|
3.0
|
0.9
|
1.0
|
O2B
|
C:GTP1
|
3.0
|
89.9
|
1.0
|
PB
|
C:GTP1
|
3.1
|
87.0
|
1.0
|
PG
|
C:GTP1
|
3.3
|
0.0
|
1.0
|
N4
|
C:C13
|
3.6
|
62.2
|
1.0
|
O3B
|
C:GTP1
|
3.8
|
98.4
|
1.0
|
C5
|
C:C13
|
3.8
|
64.5
|
1.0
|
N4
|
C:C14
|
4.0
|
57.2
|
1.0
|
C4
|
C:C13
|
4.0
|
63.9
|
1.0
|
C5
|
C:C14
|
4.5
|
52.1
|
1.0
|
O3A
|
C:GTP1
|
4.6
|
90.0
|
1.0
|
C4
|
C:C14
|
4.7
|
57.5
|
1.0
|
O2G
|
C:GTP1
|
4.8
|
0.4
|
1.0
|
C6
|
C:C13
|
4.8
|
65.5
|
1.0
|
O1A
|
C:GTP1
|
5.0
|
87.1
|
1.0
|
|
Magnesium binding site 9 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 9 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg502
b:71.1
occ:1.00
|
O
|
D:HOH610
|
2.1
|
72.0
|
1.0
|
O6
|
D:G169
|
3.9
|
54.1
|
1.0
|
N7
|
D:G168
|
4.0
|
66.5
|
1.0
|
O6
|
D:G168
|
4.0
|
63.8
|
1.0
|
N7
|
D:G169
|
4.1
|
64.0
|
1.0
|
O4
|
D:U170
|
4.2
|
64.3
|
1.0
|
OP2
|
D:A175
|
4.2
|
66.5
|
1.0
|
C6
|
D:G168
|
4.6
|
63.5
|
1.0
|
C5
|
D:G168
|
4.6
|
62.5
|
1.0
|
C6
|
D:G169
|
4.7
|
62.4
|
1.0
|
C5
|
D:G169
|
4.8
|
63.3
|
1.0
|
OP1
|
D:A175
|
4.9
|
62.0
|
1.0
|
P
|
D:A175
|
5.0
|
68.5
|
1.0
|
C8
|
D:G168
|
5.0
|
68.4
|
1.0
|
C4
|
D:U170
|
5.0
|
62.4
|
1.0
|
|
Magnesium binding site 10 out
of 10 in 3cul
Go back to
Magnesium Binding Sites List in 3cul
Magnesium binding site 10 out
of 10 in the Aminoacyl-Trna Synthetase Ribozyme
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Aminoacyl-Trna Synthetase Ribozyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg504
b:66.8
occ:1.00
|
O4
|
D:U171
|
2.0
|
74.6
|
1.0
|
OP2
|
D:U170
|
2.4
|
65.0
|
1.0
|
C4
|
D:U171
|
3.0
|
73.2
|
1.0
|
C5
|
D:U171
|
3.4
|
74.0
|
1.0
|
P
|
D:U170
|
3.7
|
62.4
|
1.0
|
N3
|
D:U171
|
4.2
|
69.5
|
1.0
|
OP1
|
D:U170
|
4.3
|
63.6
|
1.0
|
O5'
|
D:U170
|
4.6
|
57.9
|
1.0
|
O3'
|
D:G169
|
4.7
|
65.4
|
1.0
|
C6
|
D:U171
|
4.7
|
72.6
|
1.0
|
C5
|
D:U170
|
4.9
|
60.9
|
1.0
|
|
Reference:
H.Xiao,
H.Murakami,
H.Suga,
A.R.Ferre-D'amare.
Structural Basis of Specific Trna Aminoacylation By A Small in Vitro Selected Ribozyme. Nature V. 454 358 2008.
ISSN: ISSN 0028-0836
PubMed: 18548004
DOI: 10.1038/NATURE07033
Page generated: Wed Aug 14 11:53:03 2024
|