Magnesium in PDB 5d4e: Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
Enzymatic activity of Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
All present enzymatic activity of Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp:
2.7.7.6;
Protein crystallography data
The structure of Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp, PDB code: 5d4e
was solved by
Y.Zhang,
R.H.Ebright,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.68 /
3.08
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
185.811,
103.948,
297.143,
90.00,
98.47,
90.00
|
R / Rfree (%)
|
21 /
24.6
|
Other elements in 5d4e:
The structure of Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
(pdb code 5d4e). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the
Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp, PDB code: 5d4e:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Magnesium binding site 1 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 1 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
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 Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg2001
b:71.1
occ:1.00
|
O
|
B:ASP191
|
2.6
|
67.5
|
1.0
|
OD2
|
B:ASP183
|
3.3
|
82.7
|
1.0
|
OD1
|
B:ASP193
|
3.3
|
62.4
|
1.0
|
CG
|
B:ARG30
|
3.4
|
46.6
|
1.0
|
C
|
B:ASP191
|
3.6
|
71.6
|
1.0
|
CA
|
B:ASP191
|
4.0
|
76.1
|
1.0
|
CB
|
B:ASP191
|
4.0
|
76.8
|
1.0
|
CD
|
B:ARG30
|
4.1
|
44.0
|
1.0
|
CB
|
B:ARG30
|
4.2
|
50.2
|
1.0
|
CG
|
B:ASP183
|
4.4
|
79.8
|
1.0
|
CG
|
B:ASP193
|
4.5
|
55.2
|
1.0
|
CA
|
B:ARG30
|
4.5
|
48.3
|
1.0
|
O
|
B:LEU192
|
4.5
|
52.0
|
1.0
|
N
|
B:LEU192
|
4.7
|
70.4
|
1.0
|
C
|
B:LEU192
|
4.8
|
51.8
|
1.0
|
OD2
|
B:ASP193
|
4.9
|
52.1
|
1.0
|
OD1
|
B:ASP183
|
4.9
|
79.3
|
1.0
|
|
Magnesium binding site 2 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 2 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
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 Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg2003
b:22.6
occ:1.00
|
O3'
|
D:C2005
|
1.9
|
43.6
|
0.8
|
OD1
|
D:ASP741
|
2.0
|
37.3
|
1.0
|
OD1
|
D:ASP739
|
2.1
|
25.0
|
1.0
|
OD1
|
D:ASP743
|
2.1
|
33.6
|
1.0
|
CG
|
D:ASP741
|
2.7
|
34.6
|
1.0
|
OD2
|
D:ASP743
|
2.7
|
19.1
|
1.0
|
CG
|
D:ASP743
|
2.8
|
25.7
|
1.0
|
OD2
|
D:ASP741
|
2.8
|
32.9
|
1.0
|
C3'
|
D:C2005
|
3.1
|
53.9
|
0.8
|
CG
|
D:ASP739
|
3.2
|
28.7
|
1.0
|
C4'
|
D:C2005
|
3.5
|
51.2
|
0.8
|
OD2
|
D:ASP739
|
3.5
|
38.8
|
1.0
|
C5'
|
D:C2005
|
3.8
|
54.8
|
0.8
|
O2'
|
D:C2005
|
4.0
|
47.4
|
0.8
|
CB
|
D:ASP741
|
4.1
|
24.0
|
1.0
|
C2'
|
D:C2005
|
4.1
|
51.7
|
0.8
|
O
|
D:ASP739
|
4.2
|
20.4
|
1.0
|
CB
|
D:ASP743
|
4.3
|
24.6
|
1.0
|
N
|
D:ASP741
|
4.4
|
27.9
|
1.0
|
N
|
D:ASP739
|
4.4
|
25.8
|
1.0
|
CB
|
D:ASP739
|
4.5
|
28.1
|
1.0
|
C
|
D:ASP739
|
4.6
|
22.2
|
1.0
|
NH2
|
D:ARG704
|
4.7
|
25.0
|
1.0
|
CA
|
D:ASP739
|
4.8
|
25.0
|
1.0
|
CA
|
D:ASP741
|
4.8
|
21.1
|
1.0
|
O4'
|
D:C2005
|
4.8
|
53.4
|
0.8
|
N
|
D:ASP743
|
4.9
|
23.3
|
1.0
|
CA
|
D:ASP743
|
4.9
|
23.7
|
1.0
|
|
Magnesium binding site 3 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 3 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
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 Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg2004
b:27.5
occ:1.00
|
O
|
D:LYS840
|
2.0
|
37.6
|
1.0
|
C
|
D:LYS840
|
3.2
|
35.5
|
1.0
|
OD2
|
B:ASP168
|
3.5
|
39.4
|
1.0
|
OD1
|
B:ASP168
|
3.5
|
47.6
|
1.0
|
CG
|
B:ASP168
|
3.9
|
38.3
|
1.0
|
OE2
|
B:GLU154
|
4.1
|
64.7
|
1.0
|
N
|
D:TYR841
|
4.1
|
34.6
|
1.0
|
CA
|
D:LYS840
|
4.2
|
38.5
|
1.0
|
CA
|
D:TYR841
|
4.2
|
35.3
|
1.0
|
OE1
|
B:GLU64
|
4.3
|
83.7
|
1.0
|
O
|
D:LEU839
|
4.3
|
31.9
|
1.0
|
N
|
D:VAL842
|
4.4
|
32.0
|
1.0
|
OE2
|
B:GLU64
|
4.6
|
75.1
|
1.0
|
C
|
D:TYR841
|
4.8
|
31.6
|
1.0
|
OE1
|
B:GLU154
|
4.9
|
74.2
|
1.0
|
CD
|
B:GLU64
|
4.9
|
86.7
|
1.0
|
CD
|
B:GLU154
|
4.9
|
73.3
|
1.0
|
CG
|
D:LYS840
|
5.0
|
37.4
|
1.0
|
|
Magnesium binding site 4 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 4 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
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 Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg2007
b:49.5
occ:1.00
|
OD2
|
D:ASP739
|
2.1
|
38.8
|
1.0
|
O6
|
D:DPO2006
|
2.2
|
69.6
|
1.0
|
O3
|
D:DPO2006
|
2.3
|
68.7
|
1.0
|
CG
|
D:ASP739
|
3.0
|
28.7
|
1.0
|
CB
|
D:ASP739
|
3.3
|
28.1
|
1.0
|
O4
|
D:DPO2006
|
3.3
|
84.1
|
1.0
|
P2
|
D:DPO2006
|
3.3
|
70.4
|
1.0
|
P1
|
D:DPO2006
|
3.3
|
98.5
|
1.0
|
NH1
|
C:ARG879
|
3.6
|
37.2
|
1.0
|
OE1
|
C:GLU685
|
3.8
|
37.7
|
1.0
|
OD2
|
C:ASP686
|
3.8
|
39.4
|
1.0
|
OD1
|
D:ASP739
|
4.1
|
25.0
|
1.0
|
O2
|
D:DPO2006
|
4.2
|
65.3
|
1.0
|
O5
|
D:DPO2006
|
4.2
|
58.0
|
1.0
|
NH2
|
D:ARG1029
|
4.4
|
34.4
|
1.0
|
O7
|
D:DPO2006
|
4.4
|
45.6
|
1.0
|
O1
|
D:DPO2006
|
4.6
|
83.6
|
1.0
|
CA
|
D:ASP739
|
4.7
|
25.0
|
1.0
|
CD
|
C:GLU685
|
4.7
|
33.5
|
1.0
|
OD2
|
D:ASP741
|
4.8
|
32.9
|
1.0
|
CZ
|
C:ARG879
|
4.8
|
24.9
|
1.0
|
CG
|
C:ASP686
|
5.0
|
35.8
|
1.0
|
|
Magnesium binding site 5 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 5 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
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 Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg2001
b:92.7
occ:1.00
|
O
|
F:ALA292
|
2.1
|
90.7
|
1.0
|
O
|
F:TRP299
|
2.3
|
98.5
|
1.0
|
O
|
F:GLY296
|
2.3
|
98.6
|
1.0
|
C
|
F:ALA292
|
3.1
|
93.6
|
1.0
|
C
|
F:TRP299
|
3.4
|
99.1
|
1.0
|
C
|
F:GLY296
|
3.5
|
95.7
|
1.0
|
N
|
F:TRP299
|
3.9
|
99.0
|
1.0
|
CA
|
F:TRP299
|
3.9
|
96.2
|
1.0
|
CB
|
F:TRP299
|
3.9
|
98.3
|
1.0
|
CA
|
F:ALA292
|
4.0
|
83.6
|
1.0
|
N
|
F:GLU293
|
4.0
|
98.9
|
1.0
|
CB
|
F:ALA292
|
4.1
|
81.8
|
1.0
|
CA
|
F:GLU293
|
4.2
|
94.1
|
1.0
|
N
|
F:GLY296
|
4.3
|
0.2
|
1.0
|
N
|
F:PRO297
|
4.4
|
0.9
|
1.0
|
CA
|
F:PRO297
|
4.4
|
0.3
|
1.0
|
CA
|
F:GLY296
|
4.4
|
96.2
|
1.0
|
N
|
F:ASP300
|
4.5
|
93.4
|
1.0
|
C
|
F:PRO297
|
4.6
|
98.6
|
1.0
|
N
|
F:GLY298
|
4.7
|
97.8
|
1.0
|
O
|
F:GLU293
|
4.7
|
94.7
|
1.0
|
C
|
F:GLU293
|
4.7
|
93.6
|
1.0
|
CA
|
F:ASP300
|
4.9
|
87.2
|
1.0
|
|
Magnesium binding site 6 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 6 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
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 Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Mg1601
b:25.2
occ:1.00
|
O
|
N:LYS840
|
2.1
|
35.4
|
1.0
|
OD2
|
L:ASP168
|
3.3
|
46.9
|
1.0
|
C
|
N:LYS840
|
3.3
|
32.5
|
1.0
|
OD1
|
L:ASP168
|
3.5
|
57.0
|
1.0
|
CG
|
L:ASP168
|
3.8
|
44.7
|
1.0
|
CA
|
N:TYR841
|
4.2
|
37.1
|
1.0
|
N
|
N:TYR841
|
4.2
|
34.7
|
1.0
|
CA
|
N:LYS840
|
4.3
|
30.0
|
1.0
|
N
|
N:VAL842
|
4.4
|
34.5
|
1.0
|
OE1
|
L:GLU154
|
4.4
|
68.2
|
1.0
|
O
|
N:LEU839
|
4.5
|
34.5
|
1.0
|
OE1
|
L:GLU64
|
4.6
|
67.4
|
1.0
|
OE2
|
L:GLU64
|
4.7
|
68.0
|
1.0
|
C
|
N:TYR841
|
4.8
|
34.8
|
1.0
|
OE2
|
L:GLU154
|
4.8
|
58.3
|
1.0
|
CB
|
L:ALA153
|
4.9
|
42.0
|
1.0
|
|
Magnesium binding site 7 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 7 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
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 Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Mg1604
b:13.9
occ:1.00
|
O3'
|
N:C1605
|
1.8
|
25.2
|
0.7
|
OD1
|
N:ASP739
|
2.0
|
19.5
|
1.0
|
OD1
|
N:ASP743
|
2.1
|
20.0
|
1.0
|
OD1
|
N:ASP741
|
2.1
|
16.6
|
1.0
|
OD2
|
N:ASP741
|
2.8
|
25.2
|
1.0
|
CG
|
N:ASP741
|
2.8
|
14.8
|
1.0
|
CG
|
N:ASP743
|
2.9
|
15.3
|
1.0
|
OD2
|
N:ASP743
|
3.0
|
14.8
|
1.0
|
C3'
|
N:C1605
|
3.0
|
32.1
|
0.7
|
CG
|
N:ASP739
|
3.1
|
23.4
|
1.0
|
O2'
|
N:C1605
|
3.3
|
24.8
|
0.7
|
OD2
|
N:ASP739
|
3.4
|
36.6
|
1.0
|
C4'
|
N:C1605
|
3.6
|
31.8
|
0.7
|
C2'
|
N:C1605
|
3.7
|
31.4
|
0.7
|
CB
|
N:ASP741
|
4.3
|
10.0
|
1.0
|
O
|
N:HOH2140
|
4.3
|
25.6
|
1.0
|
C5'
|
N:C1605
|
4.3
|
31.0
|
0.7
|
O
|
N:ASP739
|
4.3
|
14.4
|
1.0
|
CB
|
N:ASP743
|
4.3
|
12.8
|
1.0
|
CB
|
N:ASP739
|
4.4
|
16.4
|
1.0
|
N
|
N:ASP739
|
4.5
|
16.7
|
1.0
|
C
|
N:ASP739
|
4.6
|
11.1
|
1.0
|
N
|
N:ASP743
|
4.6
|
13.5
|
1.0
|
NH2
|
N:ARG704
|
4.6
|
24.4
|
1.0
|
CA
|
N:ASP739
|
4.7
|
9.7
|
1.0
|
N
|
N:ASP741
|
4.7
|
12.6
|
1.0
|
O4'
|
N:C1605
|
4.8
|
33.7
|
0.7
|
CA
|
N:ASP743
|
4.9
|
15.2
|
1.0
|
CA
|
N:ASP741
|
4.9
|
10.5
|
1.0
|
C1'
|
N:C1605
|
4.9
|
33.9
|
0.7
|
|
Magnesium binding site 8 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 8 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Mg1607
b:36.6
occ:1.00
|
OD2
|
N:ASP739
|
2.1
|
36.6
|
1.0
|
O6
|
N:DPO1606
|
2.2
|
51.3
|
1.0
|
O1
|
N:DPO1606
|
2.4
|
58.4
|
1.0
|
O
|
M:HOH1216
|
2.8
|
28.9
|
1.0
|
CG
|
N:ASP739
|
3.1
|
23.4
|
1.0
|
CB
|
N:ASP739
|
3.3
|
16.4
|
1.0
|
P2
|
N:DPO1606
|
3.4
|
61.7
|
1.0
|
P1
|
N:DPO1606
|
3.4
|
84.5
|
1.0
|
O4
|
N:DPO1606
|
3.4
|
74.5
|
1.0
|
OE1
|
M:GLU685
|
3.6
|
26.4
|
1.0
|
O
|
N:HOH2140
|
4.0
|
25.6
|
1.0
|
OD2
|
M:ASP686
|
4.0
|
26.6
|
1.0
|
NH1
|
M:ARG879
|
4.2
|
19.6
|
1.0
|
O
|
N:HOH2284
|
4.2
|
33.2
|
1.0
|
OD1
|
N:ASP739
|
4.2
|
19.5
|
1.0
|
O2
|
N:DPO1606
|
4.2
|
43.4
|
1.0
|
O7
|
N:DPO1606
|
4.3
|
47.4
|
1.0
|
O5
|
N:DPO1606
|
4.4
|
26.2
|
1.0
|
CD
|
M:GLU685
|
4.4
|
26.5
|
1.0
|
NH2
|
N:ARG1029
|
4.4
|
25.0
|
1.0
|
O3
|
N:DPO1606
|
4.6
|
62.1
|
1.0
|
OE2
|
M:GLU685
|
4.7
|
28.9
|
1.0
|
CA
|
N:ASP739
|
4.8
|
9.7
|
1.0
|
OD2
|
N:ASP741
|
4.9
|
25.2
|
1.0
|
|
Magnesium binding site 9 out
of 9 in 5d4e
Go back to
Magnesium Binding Sites List in 5d4e
Magnesium binding site 9 out
of 9 in the Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structure of Thermus Thermophilus Product Complex For Transcription Initiation with 3'-Dephosphate-Coa and Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Mg2001
b:39.0
occ:1.00
|
O
|
P:GLY296
|
2.3
|
49.3
|
1.0
|
O
|
P:ALA292
|
2.3
|
45.8
|
1.0
|
O
|
P:TRP299
|
2.9
|
33.7
|
1.0
|
C
|
P:ALA292
|
3.3
|
42.1
|
1.0
|
C
|
P:GLY296
|
3.4
|
49.8
|
1.0
|
CA
|
P:GLU293
|
3.7
|
43.8
|
1.0
|
N
|
P:GLU293
|
3.9
|
43.9
|
1.0
|
C
|
P:TRP299
|
4.0
|
38.4
|
1.0
|
O
|
P:GLU293
|
4.1
|
38.2
|
1.0
|
N
|
P:GLY296
|
4.1
|
50.2
|
1.0
|
CA
|
P:GLY296
|
4.2
|
47.7
|
1.0
|
CB
|
P:TRP299
|
4.2
|
37.4
|
1.0
|
C
|
P:GLU293
|
4.2
|
40.4
|
1.0
|
N
|
P:PRO297
|
4.3
|
55.0
|
1.0
|
N
|
P:TRP299
|
4.3
|
41.1
|
1.0
|
CA
|
P:ALA292
|
4.4
|
37.1
|
1.0
|
CA
|
P:TRP299
|
4.4
|
39.4
|
1.0
|
CA
|
P:PRO297
|
4.5
|
50.1
|
1.0
|
CB
|
P:ALA292
|
4.6
|
41.5
|
1.0
|
C
|
P:PRO297
|
4.9
|
49.1
|
1.0
|
|
Reference:
J.G.Bird,
Y.Zhang,
Y.Tian,
N.Panova,
I.Barvik,
L.Greene,
M.Liu,
B.Buckley,
L.Krasny,
J.K.Lee,
C.D.Kaplan,
R.H.Ebright,
B.E.Nickels.
The Mechanism of Rna 5' Capping with Nad(+), Nadh and Desphospho-Coa. Nature V. 535 444 2016.
ISSN: ESSN 1476-4687
PubMed: 27383794
DOI: 10.1038/NATURE18622
Page generated: Sun Sep 29 02:30:56 2024
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