Zinc in PDB 7rip: Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Enzymatic activity of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
All present enzymatic activity of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp:
2.7.7.6;
Protein crystallography data
The structure of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp, PDB code: 7rip
was solved by
J.Oh,
P.B.Dervan,
D.Wang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.23 /
3.30
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
168.158,
223.041,
193.464,
90,
100.67,
90
|
R / Rfree (%)
|
21.9 /
26.1
|
Other elements in 7rip:
The structure of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
(pdb code 7rip). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp, PDB code: 7rip:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 7rip
Go back to
Zinc Binding Sites List in 7rip
Zinc binding site 1 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1801
b:246.8
occ:1.00
|
N
|
A:CYS110
|
2.1
|
241.8
|
1.0
|
SG
|
A:CYS110
|
2.2
|
210.9
|
1.0
|
SG
|
A:CYS167
|
2.4
|
257.6
|
1.0
|
SG
|
A:CYS107
|
2.4
|
235.2
|
1.0
|
CB
|
A:CYS110
|
2.4
|
218.2
|
1.0
|
CB
|
A:CYS167
|
2.5
|
246.3
|
1.0
|
CA
|
A:CYS110
|
2.7
|
224.9
|
1.0
|
C
|
A:HIS109
|
3.3
|
234.2
|
1.0
|
CB
|
A:CYS107
|
3.5
|
226.1
|
1.0
|
CB
|
A:HIS109
|
3.5
|
219.4
|
1.0
|
O
|
A:CYS110
|
3.6
|
212.1
|
1.0
|
C
|
A:CYS110
|
3.7
|
212.5
|
1.0
|
CA
|
A:HIS109
|
3.8
|
220.9
|
1.0
|
CA
|
A:CYS167
|
3.8
|
231.4
|
1.0
|
N
|
A:CYS167
|
3.9
|
221.7
|
1.0
|
SG
|
A:CYS148
|
3.9
|
210.8
|
1.0
|
N
|
A:HIS109
|
4.1
|
212.3
|
1.0
|
O
|
A:HIS109
|
4.3
|
226.7
|
1.0
|
CB
|
A:CYS148
|
4.5
|
206.5
|
1.0
|
ND2
|
A:ASN169
|
4.6
|
213.5
|
1.0
|
C
|
A:CYS167
|
4.7
|
218.4
|
1.0
|
N
|
A:GLY168
|
4.7
|
231.1
|
1.0
|
CA
|
A:CYS107
|
4.8
|
216.4
|
1.0
|
NE2
|
A:GLN171
|
4.8
|
221.3
|
1.0
|
CG
|
A:HIS109
|
4.8
|
210.8
|
1.0
|
C
|
A:CYS107
|
4.9
|
210.5
|
1.0
|
N
|
A:GLY111
|
4.9
|
215.5
|
1.0
|
|
Zinc binding site 2 out
of 8 in 7rip
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Zinc Binding Sites List in 7rip
Zinc binding site 2 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1802
b:153.2
occ:1.00
|
NE2
|
A:HIS80
|
1.9
|
165.4
|
1.0
|
CE1
|
A:HIS80
|
2.2
|
160.8
|
1.0
|
SG
|
A:CYS67
|
2.3
|
176.9
|
1.0
|
CB
|
A:CYS70
|
2.3
|
163.4
|
1.0
|
SG
|
A:CYS70
|
2.4
|
158.4
|
1.0
|
SG
|
A:CYS77
|
2.6
|
132.9
|
1.0
|
CB
|
A:CYS67
|
3.1
|
170.6
|
1.0
|
CD2
|
A:HIS80
|
3.1
|
155.4
|
1.0
|
ND1
|
A:HIS80
|
3.4
|
157.5
|
1.0
|
CB
|
A:CYS77
|
3.6
|
145.9
|
1.0
|
CA
|
A:CYS70
|
3.8
|
176.3
|
1.0
|
CG
|
A:HIS80
|
3.8
|
153.7
|
1.0
|
O
|
A:PRO78
|
4.3
|
147.5
|
1.0
|
CA
|
A:CYS77
|
4.3
|
146.7
|
1.0
|
C
|
A:CYS70
|
4.5
|
170.7
|
1.0
|
N
|
A:CYS70
|
4.5
|
200.2
|
1.0
|
CA
|
A:CYS67
|
4.5
|
169.7
|
1.0
|
N
|
A:GLN68
|
4.5
|
174.3
|
1.0
|
N
|
A:GLN71
|
4.7
|
169.9
|
1.0
|
C
|
A:CYS77
|
4.8
|
146.8
|
1.0
|
CD
|
A:PRO78
|
4.9
|
148.9
|
1.0
|
O
|
A:GLN68
|
4.9
|
191.5
|
1.0
|
C
|
A:CYS67
|
4.9
|
179.4
|
1.0
|
|
Zinc binding site 3 out
of 8 in 7rip
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Zinc Binding Sites List in 7rip
Zinc binding site 3 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1302
b:184.9
occ:1.00
|
SG
|
B:CYS1166
|
2.2
|
149.3
|
1.0
|
SG
|
B:CYS1185
|
2.2
|
174.5
|
1.0
|
CB
|
B:CYS1185
|
2.5
|
179.8
|
1.0
|
SG
|
B:CYS1182
|
2.7
|
163.2
|
1.0
|
SG
|
B:CYS1163
|
2.8
|
169.0
|
1.0
|
CB
|
B:CYS1166
|
3.0
|
133.7
|
1.0
|
N
|
B:CYS1166
|
3.3
|
154.4
|
1.0
|
CB
|
B:CYS1163
|
3.6
|
162.4
|
1.0
|
CA
|
B:CYS1166
|
3.7
|
145.4
|
1.0
|
CA
|
B:CYS1185
|
4.0
|
180.1
|
1.0
|
CB
|
B:CYS1182
|
4.0
|
164.3
|
1.0
|
O
|
B:CYS1166
|
4.3
|
167.1
|
1.0
|
CB
|
B:ILE1165
|
4.4
|
157.0
|
1.0
|
C
|
B:ILE1165
|
4.5
|
155.9
|
1.0
|
N
|
B:CYS1185
|
4.5
|
167.9
|
1.0
|
C
|
B:CYS1166
|
4.5
|
162.6
|
1.0
|
C
|
B:CYS1185
|
4.8
|
185.6
|
1.0
|
CA
|
B:ILE1165
|
4.9
|
158.9
|
1.0
|
CG2
|
B:ILE1165
|
5.0
|
159.5
|
1.0
|
|
Zinc binding site 4 out
of 8 in 7rip
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Zinc Binding Sites List in 7rip
Zinc binding site 4 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn401
b:82.1
occ:1.00
|
SG
|
C:CYS88
|
2.2
|
65.2
|
1.0
|
SG
|
C:CYS92
|
2.3
|
88.2
|
1.0
|
SG
|
C:CYS95
|
2.5
|
80.3
|
1.0
|
SG
|
C:CYS86
|
2.6
|
88.9
|
1.0
|
CB
|
C:CYS95
|
2.8
|
70.7
|
1.0
|
CB
|
C:CYS92
|
3.1
|
69.2
|
1.0
|
N
|
C:CYS92
|
3.2
|
69.3
|
1.0
|
CB
|
C:CYS86
|
3.2
|
84.5
|
1.0
|
CB
|
C:CYS88
|
3.5
|
66.4
|
1.0
|
CA
|
C:CYS92
|
3.7
|
67.1
|
1.0
|
N
|
C:CYS95
|
3.8
|
87.2
|
1.0
|
CA
|
C:CYS95
|
3.9
|
81.5
|
1.0
|
C
|
C:HIS91
|
4.0
|
80.0
|
1.0
|
N
|
C:CYS88
|
4.1
|
70.0
|
1.0
|
CA
|
C:HIS91
|
4.3
|
81.5
|
1.0
|
C
|
C:CYS92
|
4.3
|
68.0
|
1.0
|
CA
|
C:CYS88
|
4.4
|
69.2
|
1.0
|
C
|
C:LYS94
|
4.5
|
91.7
|
1.0
|
CA
|
C:CYS86
|
4.6
|
89.5
|
1.0
|
O
|
C:CYS92
|
4.6
|
64.9
|
1.0
|
N
|
C:PHE87
|
4.8
|
69.7
|
1.0
|
O
|
C:HIS91
|
4.8
|
76.2
|
1.0
|
C
|
C:CYS86
|
4.8
|
83.0
|
1.0
|
C
|
C:CYS95
|
4.9
|
85.2
|
1.0
|
N
|
C:LYS94
|
4.9
|
79.5
|
1.0
|
|
Zinc binding site 5 out
of 8 in 7rip
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Zinc Binding Sites List in 7rip
Zinc binding site 5 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn201
b:97.2
occ:1.00
|
SG
|
I:CYS10
|
2.3
|
105.5
|
1.0
|
SG
|
I:CYS32
|
2.4
|
110.8
|
1.0
|
SG
|
I:CYS29
|
2.4
|
102.4
|
1.0
|
SG
|
I:CYS7
|
2.6
|
99.2
|
1.0
|
CB
|
I:CYS10
|
2.7
|
98.9
|
1.0
|
CB
|
I:CYS7
|
2.8
|
98.4
|
1.0
|
CB
|
I:CYS29
|
2.9
|
101.8
|
1.0
|
OG1
|
I:THR31
|
3.0
|
104.9
|
1.0
|
CB
|
I:CYS32
|
3.6
|
111.7
|
1.0
|
N
|
I:CYS32
|
3.7
|
106.6
|
1.0
|
N
|
I:CYS10
|
3.9
|
106.7
|
1.0
|
CA
|
I:CYS10
|
3.9
|
101.1
|
1.0
|
CA
|
I:CYS32
|
4.2
|
115.7
|
1.0
|
CA
|
I:CYS7
|
4.3
|
102.6
|
1.0
|
CA
|
I:CYS29
|
4.4
|
106.7
|
1.0
|
CB
|
I:THR31
|
4.4
|
107.0
|
1.0
|
CB
|
I:TYR34
|
4.4
|
103.0
|
1.0
|
C
|
I:THR31
|
4.6
|
111.8
|
1.0
|
N
|
I:THR31
|
4.7
|
109.5
|
1.0
|
C
|
I:ASP9
|
4.8
|
116.7
|
1.0
|
C
|
I:CYS32
|
4.8
|
129.3
|
1.0
|
CA
|
I:THR31
|
4.8
|
114.0
|
1.0
|
C
|
I:CYS29
|
4.9
|
114.5
|
1.0
|
C
|
I:CYS10
|
4.9
|
96.0
|
1.0
|
C
|
I:CYS7
|
5.0
|
106.6
|
1.0
|
|
Zinc binding site 6 out
of 8 in 7rip
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Zinc Binding Sites List in 7rip
Zinc binding site 6 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn202
b:93.2
occ:1.00
|
SG
|
I:CYS106
|
2.3
|
87.0
|
1.0
|
SG
|
I:CYS75
|
2.3
|
100.5
|
1.0
|
SG
|
I:CYS78
|
2.3
|
79.3
|
1.0
|
SG
|
I:CYS103
|
2.6
|
99.5
|
1.0
|
CB
|
I:CYS75
|
2.7
|
100.2
|
1.0
|
CB
|
I:CYS103
|
3.0
|
86.5
|
1.0
|
CB
|
I:CYS78
|
3.4
|
80.3
|
1.0
|
N
|
I:CYS78
|
3.6
|
91.8
|
1.0
|
OG
|
I:SER80
|
3.6
|
104.3
|
1.0
|
CB
|
I:CYS106
|
3.7
|
87.6
|
1.0
|
CA
|
I:CYS78
|
3.9
|
88.4
|
1.0
|
N
|
I:CYS106
|
4.1
|
92.1
|
1.0
|
CA
|
I:CYS75
|
4.2
|
101.2
|
1.0
|
N
|
I:HIS79
|
4.4
|
89.8
|
1.0
|
C
|
I:CYS78
|
4.4
|
93.1
|
1.0
|
CA
|
I:CYS106
|
4.4
|
88.4
|
1.0
|
CB
|
I:HIS108
|
4.5
|
86.4
|
1.0
|
CA
|
I:CYS103
|
4.5
|
83.8
|
1.0
|
CB
|
I:LYS77
|
4.6
|
88.7
|
1.0
|
N
|
I:SER80
|
4.6
|
109.2
|
1.0
|
C
|
I:LYS77
|
4.7
|
87.3
|
1.0
|
CB
|
I:SER80
|
4.8
|
92.1
|
1.0
|
C
|
I:SER105
|
4.9
|
104.5
|
1.0
|
C
|
I:CYS75
|
4.9
|
106.4
|
1.0
|
CB
|
I:SER105
|
5.0
|
100.2
|
1.0
|
N
|
I:LYS77
|
5.0
|
98.7
|
1.0
|
C
|
I:CYS106
|
5.0
|
93.0
|
1.0
|
CA
|
I:LYS77
|
5.0
|
87.5
|
1.0
|
|
Zinc binding site 7 out
of 8 in 7rip
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Zinc Binding Sites List in 7rip
Zinc binding site 7 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Zn101
b:77.8
occ:1.00
|
SG
|
J:CYS45
|
2.3
|
81.0
|
1.0
|
SG
|
J:CYS10
|
2.3
|
65.6
|
1.0
|
SG
|
J:CYS7
|
2.6
|
65.2
|
1.0
|
SG
|
J:CYS46
|
2.7
|
74.4
|
1.0
|
N
|
J:CYS46
|
2.9
|
89.5
|
1.0
|
CB
|
J:CYS7
|
2.9
|
50.7
|
1.0
|
CA
|
J:CYS46
|
3.2
|
81.5
|
1.0
|
C
|
J:CYS45
|
3.4
|
83.9
|
1.0
|
CB
|
J:CYS10
|
3.4
|
56.9
|
1.0
|
CB
|
J:CYS46
|
3.5
|
78.0
|
1.0
|
CB
|
J:CYS45
|
3.5
|
77.8
|
1.0
|
NH2
|
J:ARG43
|
3.6
|
81.2
|
1.0
|
N
|
J:CYS10
|
3.6
|
74.5
|
1.0
|
O
|
J:CYS45
|
3.9
|
61.4
|
1.0
|
CA
|
J:CYS45
|
4.0
|
69.0
|
1.0
|
CA
|
J:CYS10
|
4.1
|
66.7
|
1.0
|
CA
|
J:CYS7
|
4.4
|
60.9
|
1.0
|
N
|
J:GLY11
|
4.4
|
58.0
|
1.0
|
CZ
|
J:ARG43
|
4.5
|
81.5
|
1.0
|
NE
|
J:ARG43
|
4.5
|
86.6
|
1.0
|
CB
|
J:SER9
|
4.7
|
70.4
|
1.0
|
C
|
J:CYS46
|
4.7
|
75.3
|
1.0
|
C
|
J:CYS10
|
4.8
|
58.5
|
1.0
|
C
|
J:SER9
|
4.8
|
74.6
|
1.0
|
N
|
J:CYS45
|
4.9
|
59.8
|
1.0
|
N
|
J:LYS12
|
4.9
|
45.5
|
1.0
|
C
|
J:CYS7
|
5.0
|
65.3
|
1.0
|
CB
|
J:ARG43
|
5.0
|
89.9
|
1.0
|
|
Zinc binding site 8 out
of 8 in 7rip
Go back to
Zinc Binding Sites List in 7rip
Zinc binding site 8 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 1 Soaked with Ctp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn101
b:164.8
occ:1.00
|
SG
|
L:CYS48
|
2.3
|
167.2
|
1.0
|
SG
|
L:CYS34
|
2.3
|
153.7
|
1.0
|
SG
|
L:CYS51
|
2.5
|
169.8
|
1.0
|
SG
|
L:CYS31
|
2.6
|
149.5
|
1.0
|
CB
|
L:CYS51
|
2.7
|
168.3
|
1.0
|
CB
|
L:CYS48
|
2.8
|
157.6
|
1.0
|
CB
|
L:CYS31
|
3.1
|
144.6
|
1.0
|
N
|
L:CYS51
|
3.5
|
173.9
|
1.0
|
OG
|
L:SER36
|
3.5
|
150.3
|
1.0
|
CB
|
L:CYS34
|
3.5
|
158.5
|
1.0
|
CA
|
L:CYS51
|
3.7
|
173.6
|
1.0
|
N
|
L:CYS34
|
4.0
|
159.3
|
1.0
|
CA
|
L:CYS48
|
4.2
|
162.8
|
1.0
|
CA
|
L:CYS34
|
4.3
|
157.1
|
1.0
|
N
|
L:GLY52
|
4.4
|
166.0
|
1.0
|
C
|
L:ASP50
|
4.4
|
180.3
|
1.0
|
C
|
L:CYS51
|
4.5
|
172.2
|
1.0
|
CA
|
L:CYS31
|
4.6
|
141.5
|
1.0
|
C
|
L:CYS48
|
4.7
|
174.2
|
1.0
|
O
|
L:CYS48
|
4.7
|
185.7
|
1.0
|
CB
|
L:ASP50
|
4.8
|
157.2
|
1.0
|
CB
|
L:SER36
|
4.8
|
145.2
|
1.0
|
N
|
L:ASP50
|
4.9
|
160.6
|
1.0
|
CA
|
L:ASP50
|
4.9
|
165.7
|
1.0
|
C
|
L:CYS34
|
4.9
|
152.9
|
1.0
|
|
Reference:
J.Oh,
T.Jia,
J.Xu,
J.Chong,
P.B.Dervan,
D.Wang.
Rna Polymerase II Trapped on A Molecular Treadmill: Structural Basis of Persistent Transcriptional Arrest By A Minor Groove Dna Binder. Proc.Natl.Acad.Sci.Usa V. 119 2022.
ISSN: ESSN 1091-6490
PubMed: 35022237
DOI: 10.1073/PNAS.2114065119
Page generated: Wed Oct 30 10:22:09 2024
|