Magnesium in PDB 1hr2: Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
Protein crystallography data
The structure of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron., PDB code: 1hr2
was solved by
K.Juneau,
E.R.Podell,
D.J.Harrington,
T.R.Cech,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.25
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
75.300,
125.400,
145.700,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
24.4 /
26.4
|
Magnesium Binding Sites:
Magnesium binding site 1 out
of 42 in 1hr2
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Magnesium Binding Sites List in 1hr2
Magnesium binding site 1 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg51
b:0.1
occ:1.00
|
O6
|
A:G148
|
3.9
|
64.5
|
1.0
|
O6
|
A:G149
|
4.1
|
56.8
|
1.0
|
N7
|
A:G148
|
4.3
|
65.0
|
1.0
|
O6
|
A:G150
|
4.6
|
59.9
|
1.0
|
C6
|
A:G148
|
4.7
|
64.3
|
1.0
|
C5
|
A:G148
|
4.9
|
64.8
|
1.0
|
O4
|
A:U155
|
5.0
|
55.1
|
1.0
|
N7
|
A:G149
|
5.0
|
60.9
|
1.0
|
|
Magnesium binding site 2 out
of 42 in 1hr2
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Magnesium Binding Sites List in 1hr2
Magnesium binding site 2 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg53
b:75.2
occ:1.00
|
OP2
|
A:G245
|
2.8
|
75.7
|
1.0
|
O
|
A:HOH312
|
3.3
|
69.8
|
1.0
|
P
|
A:G245
|
3.9
|
76.8
|
1.0
|
O5'
|
A:G245
|
4.0
|
75.4
|
1.0
|
OP2
|
A:A246
|
4.1
|
69.8
|
1.0
|
C8
|
A:G245
|
4.3
|
71.6
|
1.0
|
N7
|
A:G245
|
4.4
|
71.6
|
1.0
|
OP1
|
A:G245
|
4.7
|
77.0
|
1.0
|
N7
|
A:A246
|
5.0
|
63.9
|
1.0
|
|
Magnesium binding site 3 out
of 42 in 1hr2
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Magnesium Binding Sites List in 1hr2
Magnesium binding site 3 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg55
b:80.5
occ:1.00
|
OP1
|
A:C255
|
3.3
|
72.3
|
1.0
|
C5'
|
A:C255
|
3.8
|
73.9
|
1.0
|
O2'
|
A:C170
|
3.9
|
52.1
|
1.0
|
OP1
|
A:C213
|
4.1
|
61.6
|
1.0
|
OP2
|
A:A256
|
4.2
|
78.4
|
1.0
|
O5'
|
A:C255
|
4.2
|
72.4
|
1.0
|
O3'
|
A:C170
|
4.3
|
49.3
|
1.0
|
P
|
A:C255
|
4.4
|
71.9
|
1.0
|
O3'
|
A:C255
|
4.5
|
78.1
|
1.0
|
P
|
A:A256
|
4.6
|
78.1
|
1.0
|
OP1
|
A:A256
|
4.7
|
77.7
|
1.0
|
C4'
|
A:C255
|
4.7
|
75.6
|
1.0
|
OP1
|
A:A171
|
4.9
|
49.4
|
1.0
|
C4'
|
A:C170
|
5.0
|
52.4
|
1.0
|
|
Magnesium binding site 4 out
of 42 in 1hr2
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Magnesium Binding Sites List in 1hr2
Magnesium binding site 4 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg57
b:58.3
occ:1.00
|
OP2
|
A:U249
|
2.1
|
69.5
|
1.0
|
OP2
|
A:G250
|
2.3
|
61.6
|
1.0
|
O2'
|
A:A248
|
2.5
|
66.6
|
1.0
|
C2'
|
A:A248
|
3.2
|
62.7
|
1.0
|
P
|
A:U249
|
3.5
|
67.4
|
1.0
|
N7
|
A:G250
|
3.5
|
55.0
|
1.0
|
P
|
A:G250
|
3.6
|
58.9
|
1.0
|
C3'
|
A:A248
|
3.9
|
63.5
|
1.0
|
O5'
|
A:U249
|
3.9
|
66.1
|
1.0
|
C8
|
A:G250
|
3.9
|
55.8
|
1.0
|
O5'
|
A:G250
|
4.0
|
58.1
|
1.0
|
O3'
|
A:A248
|
4.2
|
65.8
|
1.0
|
C3'
|
A:U249
|
4.5
|
62.1
|
1.0
|
O3'
|
A:U249
|
4.6
|
60.9
|
1.0
|
C1'
|
A:A248
|
4.6
|
60.4
|
1.0
|
C5
|
A:G250
|
4.6
|
54.7
|
1.0
|
OP1
|
A:G250
|
4.7
|
61.5
|
1.0
|
N7
|
A:G251
|
4.7
|
55.0
|
1.0
|
OP1
|
A:U249
|
4.7
|
67.9
|
1.0
|
|
Magnesium binding site 5 out
of 42 in 1hr2
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Magnesium Binding Sites List in 1hr2
Magnesium binding site 5 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg58
b:67.7
occ:1.00
|
OP2
|
A:A256
|
2.5
|
78.4
|
1.0
|
N7
|
A:G257
|
3.1
|
0.4
|
1.0
|
O5'
|
A:A256
|
3.2
|
79.8
|
1.0
|
P
|
A:A256
|
3.3
|
78.1
|
1.0
|
O
|
A:HOH301
|
3.4
|
59.6
|
1.0
|
OP2
|
A:G257
|
3.4
|
91.8
|
1.0
|
C8
|
A:G257
|
3.7
|
0.9
|
1.0
|
C8
|
A:A256
|
3.9
|
87.7
|
1.0
|
N7
|
A:A256
|
4.0
|
87.5
|
1.0
|
OP1
|
A:A256
|
4.0
|
77.7
|
1.0
|
C3'
|
A:A256
|
4.3
|
87.5
|
1.0
|
C5
|
A:G257
|
4.3
|
0.1
|
1.0
|
C5'
|
A:A256
|
4.4
|
83.1
|
1.0
|
P
|
A:G257
|
4.6
|
92.4
|
1.0
|
O3'
|
A:C255
|
4.7
|
78.1
|
1.0
|
N9
|
A:A256
|
4.7
|
87.7
|
1.0
|
O6
|
A:G257
|
4.7
|
0.8
|
1.0
|
C4'
|
A:A256
|
4.9
|
85.9
|
1.0
|
O5'
|
A:G257
|
4.9
|
94.8
|
1.0
|
O3'
|
A:A256
|
4.9
|
90.1
|
1.0
|
C6
|
A:G257
|
4.9
|
0.8
|
1.0
|
C5
|
A:A256
|
5.0
|
87.7
|
1.0
|
|
Magnesium binding site 6 out
of 42 in 1hr2
Go back to
Magnesium Binding Sites List in 1hr2
Magnesium binding site 6 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg59
b:86.7
occ:1.00
|
O6
|
A:G160
|
3.2
|
66.5
|
1.0
|
N7
|
A:G160
|
3.4
|
68.8
|
1.0
|
N7
|
A:A159
|
3.9
|
74.8
|
1.0
|
C6
|
A:G160
|
4.0
|
67.1
|
1.0
|
C5
|
A:G160
|
4.0
|
68.0
|
1.0
|
C5
|
A:A159
|
4.4
|
75.2
|
1.0
|
N6
|
A:A159
|
4.4
|
74.7
|
1.0
|
N6
|
A:A161
|
4.5
|
58.6
|
1.0
|
C8
|
A:G160
|
4.5
|
69.4
|
1.0
|
C8
|
A:A159
|
4.6
|
75.3
|
1.0
|
C6
|
A:A159
|
4.7
|
75.3
|
1.0
|
|
Magnesium binding site 7 out
of 42 in 1hr2
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Magnesium Binding Sites List in 1hr2
Magnesium binding site 7 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg60
b:83.5
occ:1.00
|
O6
|
A:G201
|
3.0
|
75.4
|
1.0
|
O4
|
A:U202
|
3.0
|
70.8
|
1.0
|
O6
|
A:G119
|
3.5
|
86.9
|
1.0
|
O4
|
A:U120
|
3.6
|
85.3
|
1.0
|
C4
|
A:U202
|
3.9
|
70.2
|
1.0
|
C6
|
A:G201
|
4.0
|
75.8
|
1.0
|
N3
|
A:U202
|
4.2
|
70.0
|
1.0
|
N7
|
A:G201
|
4.3
|
76.4
|
1.0
|
O6
|
A:G200
|
4.3
|
89.3
|
1.0
|
N3
|
A:U120
|
4.3
|
85.7
|
1.0
|
C4
|
A:U120
|
4.4
|
86.0
|
1.0
|
C5
|
A:G201
|
4.5
|
76.3
|
1.0
|
C6
|
A:G119
|
4.7
|
85.2
|
1.0
|
C6
|
A:G200
|
4.8
|
89.9
|
1.0
|
O6
|
A:G118
|
4.9
|
78.9
|
1.0
|
|
Magnesium binding site 8 out
of 42 in 1hr2
Go back to
Magnesium Binding Sites List in 1hr2
Magnesium binding site 8 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg61
b:91.6
occ:1.00
|
O3'
|
A:A252
|
3.9
|
57.7
|
1.0
|
O2'
|
A:A252
|
3.9
|
55.6
|
1.0
|
OP1
|
A:U253
|
4.1
|
59.5
|
1.0
|
OP1
|
A:U155
|
4.3
|
54.6
|
1.0
|
C5'
|
A:U253
|
4.3
|
59.4
|
1.0
|
P
|
A:U253
|
4.7
|
59.7
|
1.0
|
OP1
|
A:U142
|
4.7
|
59.5
|
1.0
|
C3'
|
A:A252
|
4.9
|
57.1
|
1.0
|
OP2
|
A:U155
|
5.0
|
54.7
|
1.0
|
O2'
|
B:A173
|
5.0
|
61.4
|
1.0
|
|
Magnesium binding site 9 out
of 42 in 1hr2
Go back to
Magnesium Binding Sites List in 1hr2
Magnesium binding site 9 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg62
b:0.3
occ:1.00
|
OP2
|
A:U157
|
2.9
|
67.1
|
1.0
|
OP1
|
A:U157
|
3.4
|
67.6
|
1.0
|
P
|
A:U157
|
3.6
|
68.0
|
1.0
|
O
|
A:HOH306
|
3.7
|
64.0
|
1.0
|
O3'
|
A:U156
|
4.6
|
67.0
|
1.0
|
OP1
|
A:U156
|
4.8
|
63.7
|
1.0
|
O
|
A:HOH302
|
4.8
|
64.6
|
1.0
|
O5'
|
A:U156
|
4.9
|
64.7
|
1.0
|
O
|
A:HOH303
|
4.9
|
62.0
|
1.0
|
O5'
|
A:U157
|
5.0
|
68.6
|
1.0
|
|
Magnesium binding site 10 out
of 42 in 1hr2
Go back to
Magnesium Binding Sites List in 1hr2
Magnesium binding site 10 out
of 42 in the Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron.
 Mono view
 Stereo pair view
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A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Crystal Structure Analysis of A Mutant P4-P6 Domain (DELC209) of Tetrahymena Themophila Group I Intron. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg64
b:74.9
occ:1.00
|
OP2
|
A:G174
|
3.8
|
50.5
|
1.0
|
O6
|
A:G176
|
4.0
|
55.0
|
1.0
|
N7
|
A:G175
|
4.1
|
50.8
|
1.0
|
N7
|
A:G176
|
4.3
|
57.6
|
1.0
|
OP2
|
A:G175
|
4.3
|
52.5
|
1.0
|
O
|
A:HOH337
|
4.4
|
47.7
|
1.0
|
O
|
A:HOH315
|
4.5
|
68.4
|
1.0
|
O4
|
A:U177
|
4.5
|
55.4
|
1.0
|
O
|
A:HOH339
|
4.7
|
46.8
|
1.0
|
C6
|
A:G176
|
4.8
|
56.1
|
1.0
|
C8
|
A:G175
|
4.9
|
52.2
|
1.0
|
O6
|
A:G175
|
4.9
|
50.9
|
1.0
|
P
|
A:G174
|
4.9
|
49.5
|
1.0
|
C5
|
A:G176
|
4.9
|
56.6
|
1.0
|
|
Reference:
K.Juneau,
E.Podell,
D.J.Harrington,
T.R.Cech.
Structural Basis of the Enhanced Stability of A Mutant Ribozyme Domain and A Detailed View of Rna--Solvent Interactions. Structure V. 9 221 2001.
ISSN: ISSN 0969-2126
PubMed: 11286889
DOI: 10.1016/S0969-2126(01)00579-2
Page generated: Tue Aug 13 04:04:45 2024
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