Zinc in PDB 7riy: Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
Enzymatic activity of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
All present enzymatic activity of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp:
2.7.7.6;
Protein crystallography data
The structure of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp, PDB code: 7riy
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)
|
49.53 /
3.70
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
167.775,
222.76,
192.956,
90,
100.54,
90
|
R / Rfree (%)
|
23.2 /
28.1
|
Other elements in 7riy:
The structure of Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp 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 2 Soaked with Utp
(pdb code 7riy). 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 2 Soaked with Utp, PDB code: 7riy:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 7riy
Go back to
Zinc Binding Sites List in 7riy
Zinc binding site 1 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
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 2 Soaked with Utp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1801
b:242.3
occ:1.00
|
N
|
A:CYS110
|
2.0
|
228.1
|
1.0
|
SG
|
A:CYS107
|
2.3
|
216.9
|
1.0
|
SG
|
A:CYS110
|
2.4
|
212.6
|
1.0
|
SG
|
A:CYS167
|
2.5
|
245.1
|
1.0
|
CB
|
A:CYS167
|
2.7
|
240.9
|
1.0
|
CB
|
A:CYS110
|
2.8
|
215.9
|
1.0
|
CA
|
A:CYS110
|
2.9
|
218.0
|
1.0
|
CB
|
A:HIS109
|
3.0
|
219.1
|
1.0
|
C
|
A:HIS109
|
3.0
|
229.0
|
1.0
|
CA
|
A:HIS109
|
3.3
|
220.3
|
1.0
|
CB
|
A:CYS107
|
3.5
|
212.8
|
1.0
|
N
|
A:HIS109
|
3.5
|
213.0
|
1.0
|
O
|
A:CYS110
|
3.7
|
206.8
|
1.0
|
C
|
A:CYS110
|
3.8
|
208.5
|
1.0
|
CA
|
A:CYS167
|
3.9
|
235.3
|
1.0
|
N
|
A:CYS167
|
4.0
|
230.2
|
1.0
|
O
|
A:HIS109
|
4.1
|
228.1
|
1.0
|
CG
|
A:HIS109
|
4.2
|
215.6
|
1.0
|
SG
|
A:CYS148
|
4.4
|
217.6
|
1.0
|
C
|
A:CYS107
|
4.5
|
210.9
|
1.0
|
ND2
|
A:ASN169
|
4.5
|
221.5
|
1.0
|
CA
|
A:CYS107
|
4.6
|
208.8
|
1.0
|
C
|
A:MET108
|
4.6
|
213.0
|
1.0
|
N
|
A:GLY168
|
4.7
|
243.8
|
1.0
|
ND1
|
A:HIS109
|
4.7
|
212.7
|
1.0
|
O
|
A:CYS107
|
4.7
|
211.0
|
1.0
|
CB
|
A:CYS148
|
4.8
|
214.9
|
1.0
|
N
|
A:MET108
|
4.8
|
214.6
|
1.0
|
C
|
A:CYS167
|
4.8
|
230.8
|
1.0
|
|
Zinc binding site 2 out
of 8 in 7riy
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Zinc Binding Sites List in 7riy
Zinc binding site 2 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
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 2 Soaked with Utp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1802
b:168.0
occ:1.00
|
NE2
|
A:HIS80
|
1.9
|
168.9
|
1.0
|
CE1
|
A:HIS80
|
2.1
|
173.2
|
1.0
|
SG
|
A:CYS77
|
2.1
|
155.5
|
1.0
|
SG
|
A:CYS67
|
2.4
|
181.4
|
1.0
|
CB
|
A:CYS70
|
2.5
|
182.4
|
1.0
|
CB
|
A:CYS67
|
2.8
|
180.1
|
1.0
|
SG
|
A:CYS70
|
2.8
|
179.9
|
1.0
|
CD2
|
A:HIS80
|
3.2
|
171.7
|
1.0
|
ND1
|
A:HIS80
|
3.4
|
170.5
|
1.0
|
CB
|
A:CYS77
|
3.5
|
157.7
|
1.0
|
CG
|
A:HIS80
|
3.9
|
170.6
|
1.0
|
CA
|
A:CYS70
|
3.9
|
185.5
|
1.0
|
CA
|
A:CYS67
|
4.1
|
180.1
|
1.0
|
C
|
A:CYS67
|
4.3
|
185.8
|
1.0
|
N
|
A:GLN68
|
4.4
|
183.9
|
1.0
|
O
|
A:PRO78
|
4.4
|
154.0
|
1.0
|
C
|
A:CYS70
|
4.5
|
172.4
|
1.0
|
N
|
A:CYS70
|
4.6
|
201.0
|
1.0
|
N
|
A:GLN71
|
4.7
|
185.8
|
1.0
|
CA
|
A:CYS77
|
4.7
|
156.1
|
1.0
|
O
|
A:GLN68
|
4.7
|
212.6
|
1.0
|
O
|
A:ARG57
|
4.7
|
178.1
|
1.0
|
O
|
A:CYS67
|
4.9
|
185.2
|
1.0
|
O
|
A:LEU58
|
4.9
|
178.0
|
1.0
|
|
Zinc binding site 3 out
of 8 in 7riy
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Zinc Binding Sites List in 7riy
Zinc binding site 3 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
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 2 Soaked with Utp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1301
b:195.2
occ:1.00
|
N
|
B:CYS1166
|
2.2
|
177.8
|
1.0
|
SG
|
B:CYS1166
|
2.3
|
158.3
|
1.0
|
SG
|
B:CYS1185
|
2.4
|
177.8
|
1.0
|
SG
|
B:CYS1163
|
2.5
|
178.7
|
1.0
|
CB
|
B:CYS1166
|
2.6
|
164.2
|
1.0
|
CA
|
B:CYS1166
|
2.8
|
170.9
|
1.0
|
CB
|
B:CYS1185
|
2.9
|
176.2
|
1.0
|
SG
|
B:CYS1182
|
3.1
|
171.3
|
1.0
|
C
|
B:ILE1165
|
3.3
|
181.1
|
1.0
|
CB
|
B:ILE1165
|
3.4
|
166.4
|
1.0
|
CB
|
B:CYS1163
|
3.7
|
173.6
|
1.0
|
O
|
B:CYS1166
|
3.7
|
172.8
|
1.0
|
C
|
B:CYS1166
|
3.7
|
169.4
|
1.0
|
CA
|
B:ILE1165
|
3.8
|
172.0
|
1.0
|
CG2
|
B:ILE1165
|
4.0
|
166.7
|
1.0
|
N
|
B:ILE1165
|
4.1
|
171.7
|
1.0
|
CA
|
B:CYS1185
|
4.3
|
175.8
|
1.0
|
O
|
B:ILE1165
|
4.3
|
176.1
|
1.0
|
CG1
|
B:ILE1165
|
4.5
|
161.5
|
1.0
|
CB
|
B:CYS1182
|
4.5
|
171.1
|
1.0
|
N
|
B:CYS1185
|
4.6
|
177.0
|
1.0
|
ND2
|
B:ASN1187
|
4.8
|
181.6
|
1.0
|
CB
|
B:ASN1187
|
4.9
|
178.9
|
1.0
|
N
|
B:GLY1167
|
5.0
|
168.7
|
1.0
|
CA
|
B:CYS1163
|
5.0
|
169.3
|
1.0
|
|
Zinc binding site 4 out
of 8 in 7riy
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Zinc Binding Sites List in 7riy
Zinc binding site 4 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
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 2 Soaked with Utp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn401
b:108.5
occ:1.00
|
SG
|
C:CYS95
|
2.3
|
88.6
|
1.0
|
SG
|
C:CYS88
|
2.4
|
80.7
|
1.0
|
SG
|
C:CYS86
|
2.5
|
96.6
|
1.0
|
SG
|
C:CYS92
|
2.5
|
99.7
|
1.0
|
CB
|
C:CYS92
|
2.6
|
99.8
|
1.0
|
N
|
C:CYS92
|
2.7
|
97.2
|
1.0
|
CB
|
C:CYS95
|
2.8
|
92.7
|
1.0
|
CB
|
C:CYS86
|
3.0
|
95.6
|
1.0
|
CA
|
C:CYS92
|
3.2
|
96.3
|
1.0
|
CB
|
C:CYS88
|
3.4
|
81.2
|
1.0
|
C
|
C:HIS91
|
3.8
|
98.2
|
1.0
|
N
|
C:CYS95
|
4.0
|
104.7
|
1.0
|
CA
|
C:CYS95
|
4.0
|
96.8
|
1.0
|
C
|
C:CYS92
|
4.0
|
91.6
|
1.0
|
N
|
C:CYS88
|
4.2
|
87.9
|
1.0
|
CA
|
C:HIS91
|
4.2
|
94.5
|
1.0
|
CA
|
C:CYS88
|
4.4
|
88.1
|
1.0
|
CA
|
C:CYS86
|
4.4
|
98.6
|
1.0
|
O
|
C:CYS92
|
4.4
|
91.3
|
1.0
|
C
|
C:CYS86
|
4.7
|
96.0
|
1.0
|
N
|
C:PHE87
|
4.7
|
88.6
|
1.0
|
N
|
C:ASP93
|
4.8
|
91.8
|
1.0
|
C
|
C:LYS94
|
4.8
|
107.5
|
1.0
|
C
|
C:CYS95
|
4.8
|
90.5
|
1.0
|
O
|
C:HIS91
|
4.9
|
98.5
|
1.0
|
|
Zinc binding site 5 out
of 8 in 7riy
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Zinc Binding Sites List in 7riy
Zinc binding site 5 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
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 2 Soaked with Utp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn201
b:99.5
occ:1.00
|
OG1
|
I:THR31
|
2.0
|
126.7
|
1.0
|
SG
|
I:CYS29
|
2.4
|
120.5
|
1.0
|
SG
|
I:CYS7
|
2.5
|
101.9
|
1.0
|
SG
|
I:CYS32
|
2.6
|
124.6
|
1.0
|
CB
|
I:CYS7
|
2.6
|
103.2
|
1.0
|
SG
|
I:CYS10
|
2.9
|
129.2
|
1.0
|
CB
|
I:CYS29
|
3.3
|
116.5
|
1.0
|
CB
|
I:CYS10
|
3.4
|
118.1
|
1.0
|
CB
|
I:THR31
|
3.4
|
123.4
|
1.0
|
N
|
I:CYS32
|
3.6
|
118.1
|
1.0
|
CB
|
I:CYS32
|
4.0
|
125.7
|
1.0
|
CG2
|
I:THR31
|
4.0
|
116.5
|
1.0
|
CA
|
I:CYS7
|
4.1
|
105.3
|
1.0
|
N
|
I:CYS10
|
4.2
|
115.5
|
1.0
|
CA
|
I:THR31
|
4.2
|
111.1
|
1.0
|
N
|
I:THR31
|
4.2
|
105.5
|
1.0
|
C
|
I:THR31
|
4.3
|
111.0
|
1.0
|
CA
|
I:CYS10
|
4.4
|
112.0
|
1.0
|
CA
|
I:CYS32
|
4.4
|
123.5
|
1.0
|
CB
|
I:TYR34
|
4.5
|
98.1
|
1.0
|
C
|
I:CYS7
|
4.8
|
105.0
|
1.0
|
CA
|
I:CYS29
|
4.8
|
116.2
|
1.0
|
N
|
I:CYS7
|
4.9
|
110.3
|
1.0
|
O
|
I:CYS7
|
4.9
|
108.8
|
1.0
|
CB
|
I:ASP9
|
4.9
|
112.0
|
1.0
|
C
|
I:CYS32
|
5.0
|
124.8
|
1.0
|
|
Zinc binding site 6 out
of 8 in 7riy
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Zinc Binding Sites List in 7riy
Zinc binding site 6 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
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 2 Soaked with Utp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn202
b:110.3
occ:1.00
|
SG
|
I:CYS106
|
2.2
|
98.5
|
1.0
|
SG
|
I:CYS78
|
2.4
|
85.6
|
1.0
|
SG
|
I:CYS103
|
2.4
|
104.5
|
1.0
|
SG
|
I:CYS75
|
2.5
|
118.8
|
1.0
|
CB
|
I:CYS75
|
2.7
|
113.2
|
1.0
|
CB
|
I:CYS103
|
2.8
|
98.8
|
1.0
|
OG
|
I:SER80
|
3.4
|
105.8
|
1.0
|
CB
|
I:CYS78
|
3.4
|
96.7
|
1.0
|
CB
|
I:CYS106
|
3.5
|
106.6
|
1.0
|
N
|
I:CYS106
|
3.9
|
115.3
|
1.0
|
N
|
I:CYS78
|
3.9
|
111.5
|
1.0
|
CA
|
I:CYS78
|
4.2
|
106.1
|
1.0
|
CA
|
I:CYS106
|
4.2
|
110.9
|
1.0
|
CA
|
I:CYS75
|
4.2
|
108.6
|
1.0
|
CB
|
I:HIS108
|
4.2
|
98.5
|
1.0
|
CA
|
I:CYS103
|
4.3
|
92.8
|
1.0
|
N
|
I:HIS79
|
4.6
|
99.6
|
1.0
|
C
|
I:CYS78
|
4.6
|
97.9
|
1.0
|
N
|
I:HIS108
|
4.7
|
99.4
|
1.0
|
N
|
I:SER80
|
4.7
|
105.9
|
1.0
|
CB
|
I:SER80
|
4.7
|
103.2
|
1.0
|
C
|
I:CYS106
|
4.7
|
107.0
|
1.0
|
C
|
I:SER105
|
4.8
|
114.4
|
1.0
|
N
|
I:SER107
|
4.9
|
104.1
|
1.0
|
C
|
I:CYS103
|
4.9
|
94.5
|
1.0
|
N
|
I:SER105
|
4.9
|
106.4
|
1.0
|
CB
|
I:SER105
|
4.9
|
113.9
|
1.0
|
C
|
I:CYS75
|
5.0
|
112.2
|
1.0
|
N
|
I:CYS75
|
5.0
|
104.7
|
1.0
|
|
Zinc binding site 7 out
of 8 in 7riy
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Zinc Binding Sites List in 7riy
Zinc binding site 7 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
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 2 Soaked with Utp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Zn101
b:90.8
occ:1.00
|
SG
|
J:CYS10
|
2.4
|
89.7
|
1.0
|
SG
|
J:CYS7
|
2.4
|
75.5
|
1.0
|
CB
|
J:CYS7
|
2.4
|
76.2
|
1.0
|
SG
|
J:CYS45
|
2.5
|
95.8
|
1.0
|
SG
|
J:CYS46
|
2.6
|
96.4
|
1.0
|
N
|
J:CYS46
|
2.9
|
99.9
|
1.0
|
NH2
|
J:ARG43
|
3.1
|
86.1
|
1.0
|
C
|
J:CYS45
|
3.1
|
94.3
|
1.0
|
CA
|
J:CYS46
|
3.2
|
93.8
|
1.0
|
CB
|
J:CYS46
|
3.3
|
93.9
|
1.0
|
O
|
J:CYS45
|
3.5
|
97.6
|
1.0
|
CB
|
J:CYS45
|
3.6
|
91.0
|
1.0
|
CB
|
J:CYS10
|
3.6
|
88.1
|
1.0
|
N
|
J:CYS10
|
3.9
|
91.8
|
1.0
|
CA
|
J:CYS7
|
3.9
|
78.4
|
1.0
|
CA
|
J:CYS45
|
3.9
|
86.3
|
1.0
|
CZ
|
J:ARG43
|
4.3
|
88.8
|
1.0
|
CA
|
J:CYS10
|
4.3
|
90.2
|
1.0
|
N
|
J:GLY11
|
4.5
|
83.9
|
1.0
|
C
|
J:CYS7
|
4.5
|
82.4
|
1.0
|
N
|
J:CYS7
|
4.6
|
75.8
|
1.0
|
O
|
J:CYS7
|
4.6
|
87.7
|
1.0
|
C
|
J:CYS46
|
4.7
|
85.6
|
1.0
|
NE
|
J:ARG43
|
4.7
|
91.7
|
1.0
|
N
|
J:LYS12
|
4.8
|
79.0
|
1.0
|
N
|
J:CYS45
|
4.8
|
76.0
|
1.0
|
CB
|
J:SER9
|
4.8
|
82.8
|
1.0
|
C
|
J:CYS10
|
5.0
|
89.9
|
1.0
|
CB
|
J:LYS12
|
5.0
|
67.4
|
1.0
|
|
Zinc binding site 8 out
of 8 in 7riy
Go back to
Zinc Binding Sites List in 7riy
Zinc binding site 8 out
of 8 in the Rna Polymerase II Elongation Complex with Hairpin Polyamide Py-Im 1, Scaffold 2 Soaked with Utp
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 2 Soaked with Utp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn101
b:182.6
occ:1.00
|
SG
|
L:CYS48
|
2.3
|
203.0
|
1.0
|
SG
|
L:CYS34
|
2.3
|
175.8
|
1.0
|
CB
|
L:CYS51
|
2.4
|
216.2
|
1.0
|
SG
|
L:CYS51
|
2.4
|
211.9
|
1.0
|
SG
|
L:CYS31
|
2.6
|
191.4
|
1.0
|
CB
|
L:CYS31
|
3.0
|
182.6
|
1.0
|
CB
|
L:CYS48
|
3.0
|
199.7
|
1.0
|
CB
|
L:CYS34
|
3.1
|
177.5
|
1.0
|
N
|
L:CYS51
|
3.5
|
211.5
|
1.0
|
CA
|
L:CYS51
|
3.5
|
215.4
|
1.0
|
OG
|
L:SER36
|
3.9
|
169.5
|
1.0
|
N
|
L:CYS34
|
4.0
|
174.8
|
1.0
|
CA
|
L:CYS34
|
4.1
|
174.7
|
1.0
|
C
|
L:CYS51
|
4.4
|
213.7
|
1.0
|
CA
|
L:CYS48
|
4.5
|
195.5
|
1.0
|
CA
|
L:CYS31
|
4.5
|
173.2
|
1.0
|
C
|
L:ASP50
|
4.5
|
213.3
|
1.0
|
N
|
L:GLY52
|
4.5
|
208.4
|
1.0
|
C
|
L:CYS34
|
4.8
|
169.6
|
1.0
|
O
|
L:CYS48
|
4.8
|
200.0
|
1.0
|
C
|
L:CYS48
|
4.9
|
196.9
|
1.0
|
C
|
L:CYS31
|
5.0
|
172.9
|
1.0
|
N
|
L:SER35
|
5.0
|
175.3
|
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 10:22:50 2024
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