Magnesium in PDB 1ykv: Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
Protein crystallography data
The structure of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene, PDB code: 1ykv
was solved by
A.Serganov,
S.Keiper,
L.Malinina,
V.Tereshko,
E.Skripkin,
C.Hobartner,
A.Polonskaia,
A.T.Phan,
R.Wombacher,
R.Micura,
Z.Dauter,
A.Jaschke,
D.J.Patel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
3.30
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.288,
44.039,
79.998,
90.00,
106.87,
90.00
|
R / Rfree (%)
|
22.8 /
26.2
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
(pdb code 1ykv). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the
Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene, PDB code: 1ykv:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
Magnesium binding site 1 out
of 7 in 1ykv
Go back to
Magnesium Binding Sites List in 1ykv
Magnesium binding site 1 out
of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg240
b:7.0
occ:1.00
|
OP1
|
B:U234
|
2.3
|
24.6
|
1.0
|
P
|
B:U234
|
3.5
|
23.9
|
1.0
|
O6
|
B:G236
|
3.9
|
23.3
|
1.0
|
O6
|
B:G237
|
3.9
|
25.3
|
1.0
|
OP2
|
B:U234
|
4.0
|
23.5
|
1.0
|
N7
|
B:G236
|
4.1
|
22.9
|
1.0
|
O5'
|
B:U234
|
4.1
|
22.9
|
1.0
|
N7
|
B:G237
|
4.2
|
24.9
|
1.0
|
N4
|
B:C235
|
4.2
|
22.3
|
1.0
|
C5'
|
B:U234
|
4.5
|
22.8
|
1.0
|
C6
|
B:G236
|
4.5
|
23.4
|
1.0
|
C4
|
B:C235
|
4.5
|
23.0
|
1.0
|
C5
|
B:G236
|
4.6
|
23.2
|
1.0
|
C6
|
B:G237
|
4.7
|
24.5
|
1.0
|
C5
|
B:C235
|
4.7
|
23.2
|
1.0
|
O3'
|
B:C233
|
4.8
|
23.5
|
1.0
|
C5
|
B:G237
|
4.8
|
24.4
|
1.0
|
|
Magnesium binding site 2 out
of 7 in 1ykv
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Magnesium Binding Sites List in 1ykv
Magnesium binding site 2 out
of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg241
b:13.8
occ:1.00
|
OP2
|
B:C233
|
2.2
|
25.7
|
1.0
|
P
|
B:C233
|
3.4
|
24.6
|
1.0
|
OP1
|
B:C233
|
3.9
|
23.4
|
1.0
|
N4
|
B:C210
|
4.3
|
23.4
|
1.0
|
C5'
|
B:C233
|
4.4
|
24.1
|
1.0
|
C3'
|
B:A232
|
4.4
|
24.2
|
1.0
|
O3'
|
B:A232
|
4.5
|
24.0
|
1.0
|
C2'
|
B:A232
|
4.5
|
24.6
|
1.0
|
O5'
|
B:C233
|
4.5
|
23.8
|
1.0
|
O6
|
B:G211
|
4.5
|
22.3
|
1.0
|
OP2
|
B:U234
|
4.6
|
23.5
|
1.0
|
OP2
|
B:G208
|
4.8
|
23.5
|
1.0
|
O2'
|
B:A232
|
4.8
|
25.0
|
1.0
|
N4
|
B:C235
|
5.0
|
22.3
|
1.0
|
|
Magnesium binding site 3 out
of 7 in 1ykv
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Magnesium Binding Sites List in 1ykv
Magnesium binding site 3 out
of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg242
b:15.3
occ:1.00
|
OP2
|
B:A216
|
2.1
|
22.7
|
1.0
|
P
|
B:A216
|
3.3
|
22.7
|
1.0
|
O5'
|
B:A216
|
3.5
|
22.6
|
1.0
|
N7
|
B:G217
|
3.5
|
23.7
|
1.0
|
N7
|
B:A216
|
3.7
|
23.6
|
1.0
|
C8
|
B:A216
|
3.9
|
23.8
|
1.0
|
OP1
|
B:A216
|
4.0
|
22.8
|
1.0
|
C8
|
B:G217
|
4.4
|
23.6
|
1.0
|
O6
|
B:G217
|
4.5
|
22.7
|
1.0
|
O3'
|
B:C215
|
4.5
|
23.0
|
1.0
|
OP2
|
B:G217
|
4.5
|
24.9
|
1.0
|
C5
|
B:G217
|
4.6
|
23.2
|
1.0
|
C3'
|
B:C215
|
4.7
|
23.5
|
1.0
|
C5
|
B:A216
|
4.8
|
23.4
|
1.0
|
C5'
|
B:A216
|
4.9
|
22.6
|
1.0
|
O5'
|
B:C215
|
4.9
|
23.8
|
1.0
|
C6
|
B:G217
|
4.9
|
23.1
|
1.0
|
|
Magnesium binding site 4 out
of 7 in 1ykv
Go back to
Magnesium Binding Sites List in 1ykv
Magnesium binding site 4 out
of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg246
b:8.7
occ:1.00
|
OP1
|
D:G213
|
2.0
|
23.4
|
1.0
|
OP1
|
B:G213
|
2.1
|
22.6
|
1.0
|
P
|
D:G213
|
3.5
|
23.0
|
1.0
|
P
|
B:G213
|
3.6
|
22.4
|
1.0
|
O3'
|
D:U212
|
4.3
|
23.5
|
1.0
|
OP2
|
D:G213
|
4.4
|
22.0
|
1.0
|
O5'
|
D:G213
|
4.4
|
22.4
|
1.0
|
O3'
|
B:U212
|
4.4
|
23.0
|
1.0
|
OP2
|
B:G213
|
4.5
|
22.4
|
1.0
|
C5'
|
D:G213
|
4.5
|
22.7
|
1.0
|
O5'
|
B:G213
|
4.5
|
21.9
|
1.0
|
C5'
|
B:G213
|
4.6
|
22.7
|
1.0
|
|
Magnesium binding site 5 out
of 7 in 1ykv
Go back to
Magnesium Binding Sites List in 1ykv
Magnesium binding site 5 out
of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg340
b:6.8
occ:1.00
|
OP1
|
D:U234
|
2.2
|
24.3
|
1.0
|
P
|
D:U234
|
3.3
|
24.1
|
1.0
|
OP2
|
D:U234
|
3.7
|
23.2
|
1.0
|
O6
|
D:G236
|
3.9
|
23.3
|
1.0
|
O6
|
D:G237
|
4.0
|
24.8
|
1.0
|
O5'
|
D:U234
|
4.1
|
23.4
|
1.0
|
N7
|
D:G237
|
4.2
|
23.8
|
1.0
|
N4
|
D:C235
|
4.2
|
22.4
|
1.0
|
N7
|
D:G236
|
4.2
|
23.2
|
1.0
|
C6
|
D:G236
|
4.4
|
23.4
|
1.0
|
C4
|
D:C235
|
4.5
|
22.9
|
1.0
|
C5
|
D:G236
|
4.5
|
23.4
|
1.0
|
O3'
|
D:C233
|
4.6
|
23.7
|
1.0
|
C5
|
D:C235
|
4.6
|
23.2
|
1.0
|
C5'
|
D:U234
|
4.7
|
22.7
|
1.0
|
C6
|
D:G237
|
4.8
|
23.9
|
1.0
|
C5
|
D:G237
|
4.9
|
23.8
|
1.0
|
|
Magnesium binding site 6 out
of 7 in 1ykv
Go back to
Magnesium Binding Sites List in 1ykv
Magnesium binding site 6 out
of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg341
b:13.9
occ:1.00
|
OP2
|
D:C233
|
2.1
|
24.2
|
1.0
|
N4
|
D:C210
|
3.6
|
24.8
|
1.0
|
P
|
D:C233
|
3.6
|
23.0
|
1.0
|
C5'
|
D:C233
|
3.8
|
24.0
|
1.0
|
O5'
|
D:C233
|
4.2
|
23.3
|
1.0
|
OP2
|
D:U234
|
4.4
|
23.2
|
1.0
|
O6
|
D:G211
|
4.4
|
21.3
|
1.0
|
C3'
|
D:A232
|
4.4
|
23.3
|
1.0
|
O3'
|
D:A232
|
4.5
|
22.8
|
1.0
|
OP1
|
D:C233
|
4.6
|
22.0
|
1.0
|
C2'
|
D:A232
|
4.6
|
23.3
|
1.0
|
C4
|
D:C210
|
4.6
|
24.9
|
1.0
|
OP2
|
D:G208
|
4.8
|
24.2
|
1.0
|
C5
|
D:C210
|
4.8
|
25.0
|
1.0
|
O2'
|
D:A232
|
4.8
|
23.4
|
1.0
|
N4
|
D:C235
|
5.0
|
22.4
|
1.0
|
|
Magnesium binding site 7 out
of 7 in 1ykv
Go back to
Magnesium Binding Sites List in 1ykv
Magnesium binding site 7 out
of 7 in the Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure of the Diels-Alder Ribozyme Complexed with the Product of the Reaction Between N-Pentylmaleimide and Covalently Attached 9-Hydroxymethylanthracene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg342
b:8.3
occ:1.00
|
OP2
|
D:A216
|
2.1
|
23.1
|
1.0
|
P
|
D:A216
|
3.3
|
23.3
|
1.0
|
O6
|
D:G217
|
3.4
|
22.7
|
1.0
|
N7
|
D:G217
|
3.6
|
23.7
|
1.0
|
O5'
|
D:A216
|
3.7
|
23.6
|
1.0
|
N7
|
D:A216
|
3.8
|
25.1
|
1.0
|
C8
|
D:A216
|
4.0
|
25.1
|
1.0
|
OP1
|
D:A216
|
4.1
|
23.1
|
1.0
|
C6
|
D:G217
|
4.2
|
23.1
|
1.0
|
OP2
|
D:G217
|
4.3
|
24.4
|
1.0
|
C5
|
D:G217
|
4.3
|
23.4
|
1.0
|
O3'
|
D:C215
|
4.6
|
23.2
|
1.0
|
C8
|
D:G217
|
4.7
|
23.7
|
1.0
|
N4
|
D:C218
|
4.8
|
22.9
|
1.0
|
O5'
|
D:C215
|
4.8
|
23.3
|
1.0
|
OP2
|
D:C215
|
4.8
|
23.2
|
1.0
|
C3'
|
D:C215
|
4.9
|
23.5
|
1.0
|
|
Reference:
A.Serganov,
S.Keiper,
L.Malinina,
V.Tereshko,
E.Skripkin,
C.Hobartner,
A.Polonskaia,
A.T.Phan,
R.Wombacher,
R.Micura,
Z.Dauter,
A.Jaschke,
D.J.Patel.
Structural Basis For Diels-Alder Ribozyme-Catalyzed Carbon-Carbon Bond Formation. Nat.Struct.Mol.Biol. V. 12 218 2005.
ISSN: ISSN 1545-9993
PubMed: 15723077
DOI: 10.1038/NSMB906
Page generated: Tue Aug 13 19:36:00 2024
|