Magnesium in PDB 8w8p: Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State
Enzymatic activity of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State
All present enzymatic activity of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State:
2.7.7.6;
Protein crystallography data
The structure of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State, PDB code: 8w8p
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)
|
39.76 /
3.17
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
184.681,
103.891,
294.614,
90,
98.97,
90
|
R / Rfree (%)
|
21.1 /
25.7
|
Other elements in 8w8p:
The structure of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State
(pdb code 8w8p). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State, PDB code: 8w8p:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 8w8p
Go back to
Magnesium Binding Sites List in 8w8p
Magnesium binding site 1 out
of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-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 Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg401
b:73.5
occ:1.00
|
OD1
|
B:ASP193
|
2.3
|
73.6
|
1.0
|
OD1
|
B:ASP183
|
2.4
|
86.2
|
1.0
|
OD1
|
B:ASP191
|
2.4
|
83.6
|
1.0
|
O
|
B:ASP191
|
2.6
|
78.1
|
1.0
|
CG
|
B:ASP193
|
3.4
|
68.7
|
1.0
|
C
|
B:ASP191
|
3.5
|
81.2
|
1.0
|
CG
|
B:ASP191
|
3.5
|
85.6
|
1.0
|
CG
|
B:ASP183
|
3.6
|
82.9
|
1.0
|
O
|
B:LEU192
|
3.8
|
68.1
|
1.0
|
CG
|
B:ARG30
|
3.8
|
59.9
|
1.0
|
OD2
|
B:ASP193
|
3.9
|
60.9
|
1.0
|
CA
|
B:ASP191
|
4.1
|
81.1
|
1.0
|
C
|
B:LEU192
|
4.2
|
65.9
|
1.0
|
CB
|
B:ASP191
|
4.2
|
82.1
|
1.0
|
OD2
|
B:ASP183
|
4.3
|
83.1
|
1.0
|
OD2
|
B:ASP191
|
4.5
|
77.6
|
1.0
|
N
|
B:LEU192
|
4.5
|
80.3
|
1.0
|
CB
|
B:ARG30
|
4.6
|
64.8
|
1.0
|
CA
|
B:ARG30
|
4.6
|
63.2
|
1.0
|
N
|
B:ASP193
|
4.7
|
66.2
|
1.0
|
CB
|
B:ASP183
|
4.7
|
75.0
|
1.0
|
CB
|
B:ASP193
|
4.7
|
62.0
|
1.0
|
CA
|
B:LEU192
|
4.7
|
66.4
|
1.0
|
CA
|
B:ASP183
|
4.7
|
68.0
|
1.0
|
CA
|
B:ASP193
|
4.8
|
64.1
|
1.0
|
N
|
B:GLY31
|
4.8
|
51.0
|
1.0
|
CD
|
B:ARG30
|
4.9
|
56.2
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 8w8p
Go back to
Magnesium Binding Sites List in 8w8p
Magnesium binding site 2 out
of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-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 Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg402
b:44.9
occ:1.00
|
O
|
D:LYS840
|
2.4
|
47.8
|
1.0
|
OE2
|
B:GLU154
|
3.2
|
65.2
|
1.0
|
OD1
|
B:ASP168
|
3.4
|
54.3
|
1.0
|
OD2
|
B:ASP168
|
3.4
|
60.6
|
1.0
|
C
|
D:LYS840
|
3.5
|
46.5
|
1.0
|
CG
|
B:ASP168
|
3.9
|
58.2
|
1.0
|
O
|
D:LEU839
|
4.2
|
47.0
|
1.0
|
N
|
D:TYR841
|
4.3
|
49.8
|
1.0
|
CA
|
D:TYR841
|
4.4
|
48.9
|
1.0
|
CD
|
B:GLU154
|
4.4
|
68.5
|
1.0
|
CA
|
D:LYS840
|
4.4
|
44.0
|
1.0
|
N
|
D:VAL842
|
4.5
|
48.2
|
1.0
|
OE2
|
B:GLU64
|
4.5
|
78.5
|
1.0
|
CB
|
B:ALA153
|
4.5
|
60.0
|
1.0
|
OE1
|
B:GLU64
|
4.5
|
84.2
|
1.0
|
C
|
D:TYR841
|
4.9
|
48.5
|
1.0
|
CD
|
B:GLU64
|
4.9
|
84.4
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 8w8p
Go back to
Magnesium Binding Sites List in 8w8p
Magnesium binding site 3 out
of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-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 Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1603
b:27.7
occ:1.00
|
OD1
|
D:ASP739
|
2.0
|
26.6
|
1.0
|
O
|
D:HOH1718
|
2.3
|
31.9
|
1.0
|
O3'
|
I:A7
|
2.3
|
39.8
|
1.0
|
OD2
|
D:ASP743
|
2.5
|
23.5
|
1.0
|
OD1
|
D:ASP743
|
2.6
|
28.8
|
1.0
|
OD2
|
D:ASP741
|
2.7
|
32.6
|
1.0
|
CG
|
D:ASP739
|
2.9
|
28.5
|
1.0
|
CG
|
D:ASP743
|
2.9
|
25.0
|
1.0
|
OD1
|
D:ASP741
|
2.9
|
34.2
|
1.0
|
CG
|
D:ASP741
|
3.1
|
25.2
|
1.0
|
OD2
|
D:ASP739
|
3.1
|
31.4
|
1.0
|
O2'
|
I:A7
|
3.5
|
35.0
|
1.0
|
C3'
|
I:A7
|
3.6
|
32.4
|
1.0
|
C5'
|
D:2TM1606
|
3.8
|
35.9
|
0.8
|
C2'
|
I:A7
|
4.0
|
31.8
|
1.0
|
N
|
D:ASP739
|
4.2
|
22.2
|
1.0
|
CB
|
D:ASP739
|
4.2
|
28.9
|
1.0
|
C4'
|
D:2TM1606
|
4.3
|
33.2
|
0.8
|
C4'
|
I:A7
|
4.4
|
34.6
|
1.0
|
CB
|
D:ASP743
|
4.4
|
23.0
|
1.0
|
O4'
|
D:2TM1606
|
4.5
|
28.4
|
0.8
|
C1
|
D:2TM1606
|
4.5
|
49.7
|
0.8
|
CB
|
D:ASP741
|
4.5
|
25.8
|
1.0
|
CA
|
D:ASP739
|
4.5
|
24.6
|
1.0
|
NH2
|
D:ARG704
|
4.6
|
31.0
|
1.0
|
C
|
D:ASP739
|
4.7
|
25.1
|
1.0
|
N
|
D:ASP741
|
4.7
|
28.6
|
1.0
|
O
|
D:HOH1709
|
4.8
|
33.1
|
1.0
|
O
|
D:ASN737
|
4.8
|
30.2
|
1.0
|
O
|
D:ASP739
|
4.8
|
24.8
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 8w8p
Go back to
Magnesium Binding Sites List in 8w8p
Magnesium binding site 4 out
of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-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 Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1604
b:42.4
occ:1.00
|
O2B
|
D:2TM1606
|
2.1
|
57.7
|
0.8
|
O
|
D:HOH1709
|
3.1
|
33.1
|
1.0
|
O2G
|
D:2TM1606
|
3.4
|
47.3
|
0.8
|
PB
|
D:2TM1606
|
3.6
|
62.5
|
0.8
|
OD2
|
D:ASP739
|
3.8
|
31.4
|
1.0
|
NH1
|
D:ARG1029
|
4.0
|
44.6
|
1.0
|
NH2
|
D:ARG1029
|
4.1
|
50.4
|
1.0
|
OE2
|
C:GLU685
|
4.2
|
50.9
|
1.0
|
NH1
|
C:ARG879
|
4.2
|
47.0
|
1.0
|
O3B
|
D:2TM1606
|
4.2
|
62.8
|
0.8
|
PG
|
D:2TM1606
|
4.3
|
75.9
|
0.8
|
O1B
|
D:2TM1606
|
4.4
|
52.0
|
0.8
|
CZ
|
D:ARG1029
|
4.5
|
45.4
|
1.0
|
NH2
|
D:ARG783
|
4.6
|
43.7
|
1.0
|
O1G
|
D:2TM1606
|
4.7
|
55.7
|
0.8
|
C1
|
D:2TM1606
|
4.8
|
49.7
|
0.8
|
CG
|
D:ASP739
|
4.9
|
28.5
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 8w8p
Go back to
Magnesium Binding Sites List in 8w8p
Magnesium binding site 5 out
of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-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 Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1605
b:59.5
occ:1.00
|
O
|
D:TRP897
|
2.6
|
53.9
|
1.0
|
O
|
D:ILE900
|
3.4
|
62.7
|
1.0
|
O
|
D:GLU898
|
3.7
|
65.0
|
1.0
|
C
|
D:TRP897
|
3.7
|
58.6
|
1.0
|
CA
|
D:GLU898
|
3.9
|
57.7
|
1.0
|
C
|
D:GLU898
|
4.0
|
63.0
|
1.0
|
NE1
|
D:TRP897
|
4.2
|
75.0
|
1.0
|
CD1
|
D:TRP897
|
4.2
|
67.7
|
1.0
|
N
|
D:GLU898
|
4.3
|
56.6
|
1.0
|
C
|
D:ILE900
|
4.4
|
54.3
|
1.0
|
CE2
|
D:TRP897
|
4.5
|
73.1
|
1.0
|
CG
|
D:TRP897
|
4.6
|
64.5
|
1.0
|
CD2
|
D:TRP897
|
4.7
|
66.4
|
1.0
|
N
|
D:LEU899
|
4.8
|
59.5
|
1.0
|
CA
|
D:TRP897
|
4.9
|
60.6
|
1.0
|
N
|
D:ILE900
|
4.9
|
55.8
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 8w8p
Go back to
Magnesium Binding Sites List in 8w8p
Magnesium binding site 6 out
of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-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 Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg501
b:65.5
occ:1.00
|
O
|
F:ALA292
|
2.2
|
57.2
|
1.0
|
O
|
F:GLY296
|
2.4
|
63.0
|
1.0
|
O
|
F:TRP299
|
2.5
|
61.0
|
1.0
|
C
|
F:GLY296
|
3.3
|
63.9
|
1.0
|
C
|
F:ALA292
|
3.3
|
58.6
|
1.0
|
C
|
F:TRP299
|
3.5
|
60.8
|
1.0
|
CA
|
F:PRO297
|
4.0
|
68.9
|
1.0
|
N
|
F:PRO297
|
4.0
|
68.3
|
1.0
|
N
|
F:TRP299
|
4.0
|
62.9
|
1.0
|
CB
|
F:TRP299
|
4.0
|
62.5
|
1.0
|
CA
|
F:GLU293
|
4.1
|
59.9
|
1.0
|
CA
|
F:TRP299
|
4.1
|
61.5
|
1.0
|
N
|
F:GLU293
|
4.1
|
58.8
|
1.0
|
N
|
F:GLY296
|
4.2
|
58.6
|
1.0
|
CA
|
F:GLY296
|
4.2
|
61.6
|
1.0
|
O
|
F:GLU293
|
4.2
|
50.5
|
1.0
|
CA
|
F:ALA292
|
4.3
|
58.2
|
1.0
|
CB
|
F:ALA292
|
4.5
|
56.1
|
1.0
|
C
|
F:GLU293
|
4.6
|
53.5
|
1.0
|
C
|
F:PRO297
|
4.6
|
68.5
|
1.0
|
N
|
F:ASP300
|
4.7
|
59.5
|
1.0
|
N
|
F:GLY298
|
4.8
|
63.3
|
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 22:40:34 2024
|