Magnesium in PDB 6xt7: TEL25 Hybrid Four-Quartet G-Quadruplex with K+
Protein crystallography data
The structure of TEL25 Hybrid Four-Quartet G-Quadruplex with K+, PDB code: 6xt7
was solved by
L.A.Yatsunyk,
S.E.Mccarthy,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.38 /
1.56
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
29.998,
92.916,
50.081,
90,
99.62,
90
|
R / Rfree (%)
|
16.1 /
18.5
|
Other elements in 6xt7:
The structure of TEL25 Hybrid Four-Quartet G-Quadruplex with K+ also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the TEL25 Hybrid Four-Quartet G-Quadruplex with K+
(pdb code 6xt7). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
TEL25 Hybrid Four-Quartet G-Quadruplex with K+, PDB code: 6xt7:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 6xt7
Go back to
Magnesium Binding Sites List in 6xt7
Magnesium binding site 1 out
of 6 in the TEL25 Hybrid Four-Quartet G-Quadruplex with K+
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of TEL25 Hybrid Four-Quartet G-Quadruplex with K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1101
b:32.1
occ:1.00
|
O
|
A:HOH1227
|
1.8
|
33.7
|
1.0
|
OP1
|
A:DT1014
|
2.0
|
30.1
|
1.0
|
O
|
A:HOH1224
|
2.0
|
32.7
|
1.0
|
OP1
|
C:DT1014
|
2.1
|
27.9
|
1.0
|
O
|
A:HOH1258
|
2.2
|
33.7
|
1.0
|
O
|
C:HOH1250
|
2.2
|
31.7
|
1.0
|
P
|
C:DT1014
|
3.2
|
28.7
|
1.0
|
P
|
A:DT1014
|
3.3
|
31.3
|
1.0
|
O3'
|
C:DG1013
|
3.8
|
26.3
|
1.0
|
O3'
|
A:DG1013
|
3.8
|
28.8
|
1.0
|
OP2
|
C:DT1014
|
3.9
|
29.4
|
1.0
|
OP2
|
A:DT1014
|
4.0
|
32.5
|
1.0
|
O
|
B:HOH1255
|
4.1
|
47.5
|
1.0
|
O
|
A:HOH1233
|
4.1
|
39.7
|
1.0
|
O
|
A:HOH1220
|
4.2
|
35.0
|
1.0
|
O
|
C:HOH1229
|
4.3
|
46.2
|
1.0
|
O
|
B:HOH1263
|
4.3
|
37.8
|
1.0
|
O
|
C:HOH1211
|
4.4
|
41.8
|
1.0
|
OP1
|
C:DT1015
|
4.4
|
37.8
|
1.0
|
O5'
|
C:DT1014
|
4.5
|
29.5
|
1.0
|
OP1
|
A:DT1015
|
4.5
|
28.1
|
1.0
|
O5'
|
A:DT1014
|
4.5
|
30.7
|
1.0
|
C3'
|
A:DT1014
|
4.6
|
30.1
|
1.0
|
C3'
|
C:DT1014
|
4.7
|
33.1
|
1.0
|
C5'
|
A:DT1014
|
4.8
|
30.9
|
1.0
|
C5'
|
C:DT1014
|
4.8
|
29.2
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 6xt7
Go back to
Magnesium Binding Sites List in 6xt7
Magnesium binding site 2 out
of 6 in the TEL25 Hybrid Four-Quartet G-Quadruplex with K+
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of TEL25 Hybrid Four-Quartet G-Quadruplex with K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1101
b:29.7
occ:0.57
|
O
|
D:HOH1234
|
2.0
|
32.0
|
1.0
|
OP1
|
B:DG1017
|
2.1
|
32.7
|
1.0
|
O
|
B:HOH1241
|
2.1
|
36.5
|
1.0
|
O
|
D:HOH1272
|
2.2
|
39.4
|
1.0
|
P
|
B:DG1017
|
3.3
|
30.6
|
1.0
|
O3'
|
B:DG1016
|
3.5
|
29.2
|
1.0
|
O
|
D:HOH1221
|
4.0
|
43.9
|
1.0
|
O
|
D:HOH1214
|
4.3
|
34.6
|
1.0
|
OP2
|
B:DG1017
|
4.3
|
31.5
|
1.0
|
OP1
|
D:DG1013
|
4.4
|
30.1
|
1.0
|
O5'
|
B:DG1017
|
4.5
|
28.8
|
1.0
|
C5'
|
B:DG1017
|
4.5
|
29.9
|
1.0
|
C3'
|
B:DG1016
|
4.8
|
28.6
|
1.0
|
O
|
B:HOH1230
|
5.0
|
47.9
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 6xt7
Go back to
Magnesium Binding Sites List in 6xt7
Magnesium binding site 3 out
of 6 in the TEL25 Hybrid Four-Quartet G-Quadruplex with K+
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of TEL25 Hybrid Four-Quartet G-Quadruplex with K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1102
b:29.1
occ:1.00
|
O
|
D:HOH1236
|
1.9
|
32.0
|
1.0
|
O
|
B:HOH1228
|
2.0
|
30.7
|
1.0
|
OP1
|
B:DT1014
|
2.0
|
30.6
|
1.0
|
OP1
|
D:DT1014
|
2.0
|
30.1
|
1.0
|
O
|
B:HOH1243
|
2.1
|
31.6
|
1.0
|
O
|
D:HOH1254
|
2.2
|
32.9
|
1.0
|
P
|
B:DT1014
|
3.2
|
31.1
|
1.0
|
P
|
D:DT1014
|
3.3
|
28.6
|
1.0
|
O3'
|
B:DG1013
|
3.8
|
29.3
|
1.0
|
O3'
|
D:DG1013
|
3.9
|
27.0
|
1.0
|
OP2
|
B:DT1014
|
3.9
|
32.0
|
1.0
|
O
|
B:HOH1215
|
4.0
|
36.8
|
1.0
|
O
|
A:HOH1259
|
4.0
|
49.4
|
1.0
|
OP2
|
D:DT1014
|
4.1
|
28.3
|
1.0
|
O
|
D:HOH1231
|
4.1
|
41.6
|
1.0
|
O
|
B:HOH1220
|
4.1
|
31.9
|
1.0
|
O
|
D:HOH1274
|
4.1
|
44.6
|
1.0
|
O
|
A:HOH1279
|
4.1
|
53.6
|
1.0
|
O
|
A:HOH1273
|
4.3
|
34.3
|
1.0
|
O
|
D:HOH1216
|
4.5
|
36.2
|
1.0
|
O5'
|
B:DT1014
|
4.5
|
29.6
|
1.0
|
O5'
|
D:DT1014
|
4.5
|
28.5
|
1.0
|
OP1
|
D:DT1015
|
4.5
|
33.8
|
1.0
|
OP1
|
B:DT1015
|
4.6
|
28.7
|
1.0
|
C3'
|
B:DT1014
|
4.6
|
28.7
|
1.0
|
C3'
|
D:DT1014
|
4.6
|
30.1
|
1.0
|
C5'
|
D:DT1014
|
4.8
|
26.8
|
1.0
|
C5'
|
B:DT1014
|
4.8
|
30.2
|
1.0
|
C2'
|
B:DT1014
|
4.9
|
29.5
|
1.0
|
C2'
|
D:DT1014
|
5.0
|
29.8
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 6xt7
Go back to
Magnesium Binding Sites List in 6xt7
Magnesium binding site 4 out
of 6 in the TEL25 Hybrid Four-Quartet G-Quadruplex with K+
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of TEL25 Hybrid Four-Quartet G-Quadruplex with K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg1101
b:29.6
occ:1.00
|
O
|
A:HOH1222
|
2.0
|
28.6
|
1.0
|
O
|
C:HOH1218
|
2.0
|
29.7
|
1.0
|
O
|
B:HOH1264
|
2.1
|
30.6
|
1.0
|
O
|
A:HOH1236
|
2.1
|
28.3
|
1.0
|
O
|
A:HOH1275
|
2.2
|
31.1
|
1.0
|
O
|
A:HOH1274
|
2.2
|
35.5
|
1.0
|
OP2
|
C:DG1013
|
3.8
|
31.6
|
1.0
|
O
|
B:HOH1210
|
4.2
|
28.9
|
1.0
|
OP2
|
C:DT1014
|
4.2
|
29.4
|
1.0
|
OP1
|
A:DG1016
|
4.3
|
31.9
|
1.0
|
O
|
C:HOH1211
|
4.3
|
41.8
|
1.0
|
OP1
|
A:DT1015
|
4.4
|
28.1
|
1.0
|
O
|
B:HOH1226
|
4.4
|
32.2
|
1.0
|
O
|
B:HOH1263
|
4.5
|
37.8
|
1.0
|
C5'
|
C:DG1013
|
4.5
|
30.6
|
1.0
|
C7
|
C:DT1014
|
4.8
|
35.3
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 6xt7
Go back to
Magnesium Binding Sites List in 6xt7
Magnesium binding site 5 out
of 6 in the TEL25 Hybrid Four-Quartet G-Quadruplex with K+
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of TEL25 Hybrid Four-Quartet G-Quadruplex with K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1101
b:28.7
occ:1.00
|
O
|
B:HOH1265
|
2.0
|
30.7
|
1.0
|
O
|
B:HOH1222
|
2.1
|
27.4
|
1.0
|
O
|
B:HOH1266
|
2.1
|
29.6
|
1.0
|
O
|
D:HOH1222
|
2.1
|
27.9
|
1.0
|
O
|
D:HOH1211
|
2.1
|
28.3
|
1.0
|
O
|
A:HOH1263
|
2.1
|
27.2
|
1.0
|
OP2
|
D:DG1013
|
3.9
|
28.7
|
1.0
|
OP1
|
B:DG1016
|
4.1
|
28.9
|
1.0
|
O
|
B:HOH1210
|
4.2
|
28.9
|
1.0
|
O
|
D:HOH1275
|
4.2
|
48.0
|
1.0
|
OP2
|
D:DT1014
|
4.3
|
28.3
|
1.0
|
O
|
A:HOH1267
|
4.4
|
41.4
|
1.0
|
OP1
|
B:DT1015
|
4.4
|
28.7
|
1.0
|
O
|
D:HOH1216
|
4.5
|
36.2
|
1.0
|
O
|
B:HOH1221
|
4.5
|
32.4
|
1.0
|
C5'
|
D:DG1013
|
4.6
|
27.8
|
1.0
|
C2'
|
A:DT1015
|
4.7
|
30.1
|
1.0
|
O
|
A:HOH1273
|
4.8
|
34.3
|
1.0
|
C7
|
D:DT1014
|
4.8
|
29.1
|
1.0
|
O
|
D:HOH1210
|
4.9
|
43.0
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 6xt7
Go back to
Magnesium Binding Sites List in 6xt7
Magnesium binding site 6 out
of 6 in the TEL25 Hybrid Four-Quartet G-Quadruplex with K+
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of TEL25 Hybrid Four-Quartet G-Quadruplex with K+ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1102
b:52.2
occ:1.00
|
O
|
D:HOH1259
|
2.2
|
55.0
|
1.0
|
OP1
|
D:DT1009
|
2.2
|
52.0
|
1.0
|
O
|
D:HOH1238
|
2.2
|
50.1
|
1.0
|
OP1
|
D:DG1007
|
2.2
|
48.0
|
1.0
|
O
|
D:HOH1262
|
2.3
|
59.0
|
1.0
|
O
|
D:HOH1267
|
2.3
|
56.8
|
1.0
|
P
|
D:DT1009
|
3.6
|
49.0
|
1.0
|
P
|
D:DG1007
|
3.6
|
46.2
|
1.0
|
C2'
|
D:DT1008
|
4.0
|
42.2
|
1.0
|
C3'
|
D:DT1008
|
4.1
|
42.7
|
1.0
|
O3'
|
D:DT1008
|
4.2
|
46.5
|
1.0
|
OP2
|
D:DG1007
|
4.3
|
46.0
|
1.0
|
OP2
|
D:DT1009
|
4.4
|
49.9
|
1.0
|
O5'
|
D:DG1007
|
4.4
|
43.2
|
1.0
|
C5'
|
D:DG1007
|
4.5
|
40.6
|
1.0
|
O5'
|
D:DT1009
|
4.5
|
49.4
|
1.0
|
O3'
|
D:DG1006
|
4.6
|
47.8
|
1.0
|
O
|
D:HOH1204
|
4.7
|
46.5
|
1.0
|
|
Reference:
K.Li,
L.Yatsunyk,
S.Neidle.
Water Spines and Networks in G-Quadruplex Structures. Nucleic Acids Res. V. 49 519 2021.
ISSN: ESSN 1362-4962
PubMed: 33290519
DOI: 10.1093/NAR/GKAA1177
Page generated: Tue Oct 1 23:39:34 2024
|