Magnesium in PDB 8w8o: Thermus Thermophilus Initiation Complex in the Half-Translocated State
Enzymatic activity of Thermus Thermophilus Initiation Complex in the Half-Translocated State
All present enzymatic activity of Thermus Thermophilus Initiation Complex in the Half-Translocated State:
2.7.7.6;
Protein crystallography data
The structure of Thermus Thermophilus Initiation Complex in the Half-Translocated State, PDB code: 8w8o
was solved by
L.Li,
Y.Zhang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.88 /
2.51
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
183.397,
103.796,
295.035,
90,
99.19,
90
|
R / Rfree (%)
|
18.7 /
22.6
|
Other elements in 8w8o:
The structure of Thermus Thermophilus Initiation Complex in the Half-Translocated State also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Thermus Thermophilus Initiation Complex in the Half-Translocated State
(pdb code 8w8o). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the
Thermus Thermophilus Initiation Complex in the Half-Translocated State, PDB code: 8w8o:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
Magnesium binding site 1 out
of 7 in 8w8o
Go back to
Magnesium Binding Sites List in 8w8o
Magnesium binding site 1 out
of 7 in the Thermus Thermophilus Initiation Complex in the Half-Translocated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Thermus Thermophilus Initiation Complex in the Half-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg2001
b:73.2
occ:1.00
|
OD1
|
B:ASP183
|
2.3
|
86.1
|
1.0
|
OD1
|
B:ASP191
|
2.3
|
82.4
|
1.0
|
OD1
|
B:ASP193
|
2.4
|
65.3
|
1.0
|
O
|
B:ASP191
|
3.2
|
68.2
|
1.0
|
O
|
B:LEU192
|
3.5
|
65.7
|
1.0
|
CG
|
B:ASP183
|
3.5
|
85.5
|
1.0
|
CG
|
B:ASP191
|
3.6
|
83.7
|
1.0
|
CG
|
B:ASP193
|
3.7
|
60.2
|
1.0
|
C
|
B:ASP191
|
3.7
|
74.1
|
1.0
|
C
|
B:LEU192
|
3.9
|
65.3
|
1.0
|
CA
|
B:ASP183
|
4.2
|
70.8
|
1.0
|
CA
|
B:ASP191
|
4.2
|
74.8
|
1.0
|
CB
|
B:ASP183
|
4.3
|
74.3
|
1.0
|
OD2
|
B:ASP183
|
4.3
|
89.2
|
1.0
|
N
|
B:ASP193
|
4.3
|
59.7
|
1.0
|
N
|
B:LEU192
|
4.3
|
73.4
|
1.0
|
OD2
|
B:ASP191
|
4.4
|
81.5
|
1.0
|
CB
|
B:ASP191
|
4.4
|
76.4
|
1.0
|
CA
|
B:ASP193
|
4.4
|
58.0
|
1.0
|
OD2
|
B:ASP193
|
4.4
|
55.6
|
1.0
|
CA
|
B:LEU192
|
4.6
|
65.3
|
1.0
|
CG
|
B:ARG30
|
4.6
|
54.6
|
1.0
|
CB
|
B:ASP193
|
4.7
|
53.1
|
1.0
|
N
|
B:ASP183
|
4.8
|
69.5
|
1.0
|
CA
|
B:ARG30
|
4.9
|
55.7
|
1.0
|
O
|
B:GLU182
|
5.0
|
65.8
|
1.0
|
|
Magnesium binding site 2 out
of 7 in 8w8o
Go back to
Magnesium Binding Sites List in 8w8o
Magnesium binding site 2 out
of 7 in the Thermus Thermophilus Initiation Complex in the Half-Translocated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Thermus Thermophilus Initiation Complex in the Half-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1603
b:33.8
occ:1.00
|
OD1
|
D:ASP741
|
2.0
|
39.3
|
1.0
|
O3'
|
I:A7
|
2.1
|
41.0
|
1.0
|
OD1
|
D:ASP743
|
2.1
|
42.6
|
1.0
|
O
|
D:HOH1711
|
2.1
|
34.2
|
1.0
|
OD1
|
D:ASP739
|
2.2
|
42.7
|
1.0
|
O
|
D:HOH1780
|
2.3
|
42.3
|
1.0
|
CG
|
D:ASP743
|
2.9
|
38.9
|
1.0
|
CG
|
D:ASP741
|
2.9
|
41.7
|
1.0
|
OD2
|
D:ASP743
|
3.0
|
37.9
|
1.0
|
OD2
|
D:ASP741
|
3.1
|
45.5
|
1.0
|
CG
|
D:ASP739
|
3.2
|
42.4
|
1.0
|
C3'
|
I:A7
|
3.3
|
41.5
|
1.0
|
O2'
|
I:A7
|
3.5
|
40.9
|
1.0
|
OD2
|
D:ASP739
|
3.6
|
48.7
|
1.0
|
C4'
|
I:A7
|
3.7
|
41.3
|
1.0
|
C2'
|
I:A7
|
3.9
|
41.2
|
1.0
|
C5'
|
I:A7
|
4.3
|
34.6
|
1.0
|
CB
|
D:ASP741
|
4.3
|
37.8
|
1.0
|
O
|
D:ASP739
|
4.3
|
35.1
|
1.0
|
CB
|
D:ASP743
|
4.3
|
35.0
|
1.0
|
O
|
I:HOH216
|
4.4
|
51.5
|
1.0
|
N
|
D:ASP741
|
4.4
|
36.2
|
1.0
|
N
|
D:ASP739
|
4.4
|
41.8
|
1.0
|
C
|
D:ASP739
|
4.4
|
36.3
|
1.0
|
O
|
D:HOH1878
|
4.4
|
46.3
|
1.0
|
CB
|
D:ASP739
|
4.5
|
32.4
|
1.0
|
N
|
D:ASP743
|
4.5
|
34.0
|
1.0
|
O
|
D:HOH1961
|
4.6
|
53.5
|
1.0
|
CA
|
D:ASP739
|
4.7
|
37.8
|
1.0
|
CA
|
D:ASP741
|
4.7
|
37.4
|
1.0
|
C
|
D:ASP741
|
4.8
|
39.9
|
1.0
|
CA
|
D:ASP743
|
4.8
|
32.9
|
1.0
|
N
|
D:PHE740
|
4.9
|
33.7
|
1.0
|
O4'
|
I:A7
|
4.9
|
47.9
|
1.0
|
N
|
D:GLY742
|
5.0
|
39.0
|
1.0
|
|
Magnesium binding site 3 out
of 7 in 8w8o
Go back to
Magnesium Binding Sites List in 8w8o
Magnesium binding site 3 out
of 7 in the Thermus Thermophilus Initiation Complex in the Half-Translocated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Thermus Thermophilus Initiation Complex in the Half-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1604
b:64.9
occ:1.00
|
O
|
D:HOH1800
|
2.1
|
56.7
|
1.0
|
O
|
D:HOH1811
|
2.2
|
54.8
|
1.0
|
O
|
B:HOH2114
|
2.2
|
58.7
|
1.0
|
O
|
B:HOH2125
|
2.2
|
64.5
|
1.0
|
O
|
D:LYS840
|
2.2
|
51.9
|
1.0
|
O
|
B:HOH2109
|
2.3
|
55.1
|
1.0
|
C
|
D:LYS840
|
3.3
|
53.1
|
1.0
|
CA
|
D:LYS840
|
4.0
|
52.8
|
1.0
|
O
|
D:LEU839
|
4.1
|
56.3
|
1.0
|
OE1
|
B:GLU64
|
4.2
|
90.1
|
1.0
|
OD2
|
B:ASP168
|
4.2
|
61.2
|
1.0
|
OE2
|
B:GLU64
|
4.3
|
82.0
|
1.0
|
N
|
D:TYR841
|
4.3
|
54.3
|
1.0
|
OE2
|
B:GLU154
|
4.4
|
72.1
|
1.0
|
OE1
|
B:GLU154
|
4.4
|
82.7
|
1.0
|
O
|
D:HOH1881
|
4.5
|
57.9
|
1.0
|
OD1
|
B:ASP168
|
4.5
|
60.0
|
1.0
|
CA
|
D:TYR841
|
4.7
|
51.9
|
1.0
|
CD
|
B:GLU64
|
4.7
|
86.6
|
1.0
|
O
|
B:HOH2115
|
4.7
|
58.6
|
1.0
|
CG
|
B:ASP168
|
4.8
|
58.4
|
1.0
|
CD
|
B:GLU154
|
4.8
|
80.3
|
1.0
|
N
|
D:VAL842
|
4.8
|
50.3
|
1.0
|
CG
|
D:LYS840
|
4.9
|
47.2
|
1.0
|
N
|
D:LYS840
|
5.0
|
50.4
|
1.0
|
C
|
D:LEU839
|
5.0
|
56.2
|
1.0
|
|
Magnesium binding site 4 out
of 7 in 8w8o
Go back to
Magnesium Binding Sites List in 8w8o
Magnesium binding site 4 out
of 7 in the Thermus Thermophilus Initiation Complex in the Half-Translocated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Thermus Thermophilus Initiation Complex in the Half-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1605
b:56.1
occ:1.00
|
O
|
D:HOH1949
|
2.4
|
63.0
|
1.0
|
O
|
D:TRP897
|
2.7
|
50.1
|
1.0
|
O
|
D:ILE900
|
2.7
|
55.2
|
1.0
|
O
|
D:GLU898
|
3.0
|
56.0
|
1.0
|
C
|
D:GLU898
|
3.4
|
53.8
|
1.0
|
CA
|
D:GLU898
|
3.7
|
53.9
|
1.0
|
C
|
D:TRP897
|
3.8
|
51.2
|
1.0
|
C
|
D:ILE900
|
3.9
|
48.6
|
1.0
|
N
|
D:LEU899
|
4.2
|
50.2
|
1.0
|
N
|
D:ILE900
|
4.3
|
48.6
|
1.0
|
N
|
D:GLU898
|
4.3
|
49.1
|
1.0
|
C
|
D:LEU899
|
4.6
|
50.8
|
1.0
|
CA
|
D:ILE900
|
4.7
|
51.3
|
1.0
|
CG1
|
D:ILE900
|
4.7
|
46.0
|
1.0
|
N
|
D:GLN901
|
4.9
|
48.6
|
1.0
|
CA
|
D:LEU899
|
5.0
|
50.2
|
1.0
|
|
Magnesium binding site 5 out
of 7 in 8w8o
Go back to
Magnesium Binding Sites List in 8w8o
Magnesium binding site 5 out
of 7 in the Thermus Thermophilus Initiation Complex in the Half-Translocated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Thermus Thermophilus Initiation Complex in the Half-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg501
b:56.8
occ:1.00
|
O
|
F:TRP299
|
2.4
|
56.8
|
1.0
|
O
|
F:GLY296
|
2.4
|
61.9
|
1.0
|
O
|
F:ALA292
|
2.9
|
58.4
|
1.0
|
C
|
F:ALA292
|
3.4
|
60.4
|
1.0
|
C
|
F:GLY296
|
3.5
|
67.5
|
1.0
|
C
|
F:TRP299
|
3.6
|
58.0
|
1.0
|
N
|
F:GLU293
|
3.9
|
57.9
|
1.0
|
CA
|
F:GLU293
|
3.9
|
60.7
|
1.0
|
CB
|
F:ALA292
|
4.3
|
59.5
|
1.0
|
CA
|
F:GLY296
|
4.3
|
66.4
|
1.0
|
N
|
F:GLY296
|
4.3
|
67.2
|
1.0
|
CA
|
F:ALA292
|
4.3
|
57.1
|
1.0
|
CA
|
F:TRP299
|
4.3
|
55.6
|
1.0
|
O
|
F:GLU293
|
4.3
|
66.6
|
1.0
|
N
|
F:TRP299
|
4.4
|
61.8
|
1.0
|
CB
|
F:TRP299
|
4.4
|
54.8
|
1.0
|
N
|
F:PRO297
|
4.4
|
69.4
|
1.0
|
C
|
F:GLU293
|
4.5
|
55.8
|
1.0
|
CA
|
F:PRO297
|
4.6
|
66.7
|
1.0
|
N
|
F:ASP300
|
4.6
|
51.9
|
1.0
|
CA
|
F:ASP300
|
4.9
|
54.8
|
1.0
|
|
Magnesium binding site 6 out
of 7 in 8w8o
Go back to
Magnesium Binding Sites List in 8w8o
Magnesium binding site 6 out
of 7 in the Thermus Thermophilus Initiation Complex in the Half-Translocated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Thermus Thermophilus Initiation Complex in the Half-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg101
b:43.0
occ:1.00
|
OP2
|
I:G6
|
1.8
|
43.4
|
1.0
|
O3G
|
I:GTP5
|
2.1
|
38.5
|
1.0
|
O2A
|
I:GTP5
|
2.1
|
42.7
|
1.0
|
O
|
I:HOH212
|
2.2
|
38.8
|
1.0
|
O
|
I:HOH205
|
2.2
|
36.9
|
1.0
|
O
|
I:HOH208
|
2.3
|
39.0
|
1.0
|
PG
|
I:GTP5
|
3.3
|
47.4
|
1.0
|
P
|
I:G6
|
3.3
|
35.1
|
1.0
|
PA
|
I:GTP5
|
3.6
|
40.8
|
1.0
|
O1G
|
I:GTP5
|
3.7
|
40.8
|
1.0
|
O3B
|
I:GTP5
|
4.0
|
41.7
|
1.0
|
O
|
I:HOH215
|
4.1
|
40.8
|
1.0
|
N
|
C:GLU445
|
4.1
|
41.9
|
1.0
|
OP1
|
I:G6
|
4.1
|
40.2
|
1.0
|
N
|
C:GLY446
|
4.1
|
41.9
|
1.0
|
O3'
|
I:GTP5
|
4.2
|
40.8
|
1.0
|
O
|
I:HOH206
|
4.2
|
44.7
|
1.0
|
CB
|
C:PRO444
|
4.2
|
40.3
|
1.0
|
O5'
|
I:G6
|
4.3
|
36.0
|
1.0
|
C3'
|
I:GTP5
|
4.3
|
40.8
|
1.0
|
O
|
C:HOH1234
|
4.3
|
37.8
|
1.0
|
O3A
|
I:GTP5
|
4.3
|
37.2
|
1.0
|
O1A
|
I:GTP5
|
4.4
|
42.1
|
1.0
|
O5'
|
I:GTP5
|
4.5
|
41.5
|
1.0
|
O2G
|
I:GTP5
|
4.5
|
42.9
|
1.0
|
PB
|
I:GTP5
|
4.6
|
42.5
|
1.0
|
N7
|
I:G6
|
4.6
|
44.3
|
1.0
|
O2B
|
I:GTP5
|
4.6
|
46.5
|
1.0
|
O
|
I:HOH211
|
4.6
|
41.9
|
1.0
|
CA
|
C:PRO444
|
4.6
|
41.2
|
1.0
|
C8
|
I:G6
|
4.8
|
45.8
|
1.0
|
C
|
C:PRO444
|
4.8
|
41.0
|
1.0
|
CA
|
C:GLY446
|
4.9
|
42.2
|
1.0
|
CA
|
C:GLU445
|
4.9
|
42.9
|
1.0
|
C8
|
I:GTP5
|
4.9
|
40.5
|
1.0
|
C
|
C:GLU445
|
5.0
|
38.2
|
1.0
|
|
Magnesium binding site 7 out
of 7 in 8w8o
Go back to
Magnesium Binding Sites List in 8w8o
Magnesium binding site 7 out
of 7 in the Thermus Thermophilus Initiation Complex in the Half-Translocated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Thermus Thermophilus Initiation Complex in the Half-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg102
b:44.8
occ:1.00
|
O
|
I:HOH217
|
2.0
|
41.9
|
1.0
|
O
|
I:HOH201
|
2.0
|
41.1
|
1.0
|
O2B
|
I:GTP5
|
2.2
|
46.5
|
1.0
|
O1G
|
I:GTP5
|
2.2
|
40.8
|
1.0
|
O
|
I:HOH213
|
2.2
|
40.6
|
1.0
|
N7
|
I:GTP5
|
2.4
|
43.1
|
1.0
|
C8
|
I:GTP5
|
3.3
|
40.5
|
1.0
|
PB
|
I:GTP5
|
3.4
|
42.5
|
1.0
|
C5
|
I:GTP5
|
3.4
|
45.9
|
1.0
|
O6
|
I:GTP5
|
3.5
|
45.0
|
1.0
|
PG
|
I:GTP5
|
3.5
|
47.4
|
1.0
|
O
|
I:HOH209
|
3.7
|
43.4
|
1.0
|
O3B
|
I:GTP5
|
3.8
|
41.7
|
1.0
|
O
|
I:HOH208
|
3.9
|
39.0
|
1.0
|
C6
|
I:GTP5
|
3.9
|
44.8
|
1.0
|
O
|
G:HOH102
|
4.0
|
48.0
|
1.0
|
O1B
|
I:GTP5
|
4.1
|
45.2
|
1.0
|
O
|
I:HOH204
|
4.1
|
41.9
|
1.0
|
O
|
I:HOH211
|
4.3
|
41.9
|
1.0
|
O2G
|
I:GTP5
|
4.3
|
42.9
|
1.0
|
N9
|
I:GTP5
|
4.5
|
41.7
|
1.0
|
O3G
|
I:GTP5
|
4.5
|
38.5
|
1.0
|
C4
|
I:GTP5
|
4.6
|
40.4
|
1.0
|
O3A
|
I:GTP5
|
4.7
|
37.2
|
1.0
|
ND2
|
C:ASN448
|
5.0
|
39.9
|
1.0
|
|
Reference:
I.C.Nova,
J.M.Craig,
A.Mazumder,
A.H.Laszlo,
I.M.Derrington,
M.T.Noakes,
H.Brinkerhoff,
S.Yang,
H.Vahedian-Movahed,
L.Li,
Y.Zhang,
J.L.Bowman,
J.R.Huang,
J.W.Mount,
R.H.Ebright,
J.H.Gundlach.
Nanopore Tweezers Show Fractional-Nucleotide Translocation in Sequence-Dependent Pausing By Rna Polymerase. Proc.Natl.Acad.Sci.Usa V. 121 17121 2024.
ISSN: ESSN 1091-6490
PubMed: 38990947
DOI: 10.1073/PNAS.2321017121
Page generated: Fri Oct 4 22:40:18 2024
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