Zinc in PDB 7s81: Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
Enzymatic activity of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
All present enzymatic activity of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.:
2.4.2.30;
Protein crystallography data
The structure of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break., PDB code: 7s81
was solved by
E.Rouleau-Turcotte,
J.M.Pascal,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.35 /
3.60
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
104.759,
128.552,
227.379,
90,
90,
90
|
|
R / Rfree (%)
|
25.2 /
31.2
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
(pdb code 7s81). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break., PDB code: 7s81:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 7s81
Go back to
Zinc Binding Sites List in 7s81
Zinc binding site 1 out
of 8 in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Zn200
b:161.3
occ:1.00
|
ND1
|
N:HIS53
|
2.0
|
186.7
|
1.0
|
|
SG
|
N:CYS24
|
2.3
|
181.2
|
1.0
|
|
SG
|
N:CYS56
|
2.3
|
168.5
|
1.0
|
|
SG
|
N:CYS21
|
2.3
|
167.8
|
1.0
|
|
HB2
|
N:HIS53
|
2.8
|
160.4
|
1.0
|
|
HB2
|
N:CYS21
|
2.9
|
279.2
|
1.0
|
|
CE1
|
N:HIS53
|
3.0
|
192.5
|
1.0
|
|
CG
|
N:HIS53
|
3.0
|
211.1
|
1.0
|
|
CB
|
N:CYS21
|
3.0
|
231.2
|
1.0
|
|
HB3
|
N:CYS21
|
3.1
|
279.2
|
1.0
|
|
HB2
|
N:CYS56
|
3.2
|
262.0
|
1.0
|
|
H
|
N:HIS53
|
3.2
|
135.2
|
1.0
|
|
HE1
|
N:HIS53
|
3.2
|
232.7
|
1.0
|
|
H
|
N:CYS24
|
3.3
|
184.6
|
1.0
|
|
CB
|
N:CYS56
|
3.3
|
216.9
|
1.0
|
|
CB
|
N:HIS53
|
3.4
|
132.2
|
1.0
|
|
HB3
|
N:CYS56
|
3.6
|
262.0
|
1.0
|
|
CB
|
N:CYS24
|
3.7
|
158.4
|
1.0
|
|
HB3
|
N:CYS24
|
3.7
|
191.8
|
1.0
|
|
N
|
N:HIS53
|
3.9
|
119.9
|
1.0
|
|
HB3
|
N:LYS23
|
4.0
|
218.4
|
1.0
|
|
NE2
|
N:HIS53
|
4.0
|
175.9
|
1.0
|
|
CD2
|
N:HIS53
|
4.0
|
248.5
|
1.0
|
|
N
|
N:CYS24
|
4.1
|
152.4
|
1.0
|
|
HB3
|
N:HIS53
|
4.1
|
160.4
|
1.0
|
|
CA
|
N:HIS53
|
4.3
|
140.8
|
1.0
|
|
H
|
N:LYS23
|
4.3
|
162.6
|
1.0
|
|
H
|
N:CYS56
|
4.4
|
139.5
|
1.0
|
|
HB2
|
N:CYS24
|
4.4
|
191.8
|
1.0
|
|
CA
|
N:CYS21
|
4.5
|
143.6
|
1.0
|
|
CA
|
N:CYS24
|
4.5
|
229.0
|
1.0
|
|
HA
|
N:TYR52
|
4.6
|
176.3
|
1.0
|
|
CA
|
N:CYS56
|
4.7
|
153.8
|
1.0
|
|
HA
|
N:CYS21
|
4.7
|
174.0
|
1.0
|
|
HE2
|
N:HIS53
|
4.8
|
212.8
|
1.0
|
|
H
|
N:GLU26
|
4.8
|
193.8
|
1.0
|
|
H
|
N:SER25
|
4.8
|
203.2
|
1.0
|
|
HD2
|
N:HIS53
|
4.9
|
300.0
|
1.0
|
|
N
|
N:CYS56
|
4.9
|
123.5
|
1.0
|
|
CB
|
N:LYS23
|
4.9
|
180.6
|
1.0
|
|
HA
|
N:HIS53
|
4.9
|
170.7
|
1.0
|
|
H
|
N:LYS22
|
5.0
|
212.9
|
1.0
|
|
Zinc binding site 2 out
of 8 in 7s81
Go back to
Zinc Binding Sites List in 7s81
Zinc binding site 2 out
of 8 in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn200
b:227.9
occ:1.00
|
ND1
|
I:HIS53
|
2.0
|
131.8
|
1.0
|
|
SG
|
I:CYS24
|
2.3
|
133.3
|
1.0
|
|
SG
|
I:CYS56
|
2.3
|
213.3
|
1.0
|
|
SG
|
I:CYS21
|
2.3
|
145.5
|
1.0
|
|
HB2
|
I:HIS53
|
2.8
|
228.6
|
1.0
|
|
HB2
|
I:CYS21
|
2.9
|
291.4
|
1.0
|
|
CE1
|
I:HIS53
|
2.9
|
230.4
|
1.0
|
|
CG
|
I:HIS53
|
3.0
|
153.0
|
1.0
|
|
CB
|
I:CYS21
|
3.0
|
241.4
|
1.0
|
|
HB3
|
I:CYS21
|
3.1
|
291.4
|
1.0
|
|
HE1
|
I:HIS53
|
3.1
|
278.3
|
1.0
|
|
H
|
I:HIS53
|
3.2
|
190.9
|
1.0
|
|
HB2
|
I:CYS56
|
3.2
|
291.4
|
1.0
|
|
H
|
I:CYS24
|
3.3
|
273.9
|
1.0
|
|
CB
|
I:CYS56
|
3.3
|
241.4
|
1.0
|
|
CB
|
I:HIS53
|
3.4
|
189.1
|
1.0
|
|
HB3
|
I:CYS56
|
3.6
|
291.4
|
1.0
|
|
CB
|
I:CYS24
|
3.7
|
211.1
|
1.0
|
|
HB3
|
I:CYS24
|
3.7
|
255.1
|
1.0
|
|
N
|
I:HIS53
|
3.9
|
157.7
|
1.0
|
|
NE2
|
I:HIS53
|
4.0
|
237.1
|
1.0
|
|
HB3
|
I:LYS23
|
4.0
|
165.8
|
1.0
|
|
CD2
|
I:HIS53
|
4.0
|
184.8
|
1.0
|
|
N
|
I:CYS24
|
4.1
|
226.8
|
1.0
|
|
HB3
|
I:HIS53
|
4.1
|
228.6
|
1.0
|
|
CA
|
I:HIS53
|
4.3
|
141.7
|
1.0
|
|
H
|
I:LYS23
|
4.4
|
148.4
|
1.0
|
|
H
|
I:CYS56
|
4.4
|
220.8
|
1.0
|
|
HB2
|
I:CYS24
|
4.4
|
255.1
|
1.0
|
|
CA
|
I:CYS21
|
4.5
|
199.5
|
1.0
|
|
CA
|
I:CYS24
|
4.5
|
135.1
|
1.0
|
|
HA
|
I:TYR52
|
4.6
|
143.9
|
1.0
|
|
CA
|
I:CYS56
|
4.7
|
223.2
|
1.0
|
|
HA
|
I:CYS21
|
4.7
|
241.1
|
1.0
|
|
HE2
|
I:HIS53
|
4.8
|
286.2
|
1.0
|
|
H
|
I:GLU26
|
4.8
|
160.8
|
1.0
|
|
H
|
I:SER25
|
4.8
|
234.3
|
1.0
|
|
HD2
|
I:HIS53
|
4.9
|
223.5
|
1.0
|
|
N
|
I:CYS56
|
4.9
|
182.6
|
1.0
|
|
HA
|
I:HIS53
|
4.9
|
171.8
|
1.0
|
|
CB
|
I:LYS23
|
4.9
|
136.8
|
1.0
|
|
H
|
I:LYS22
|
5.0
|
167.2
|
1.0
|
|
HB2
|
I:GLU26
|
5.0
|
264.5
|
1.0
|
|
Zinc binding site 3 out
of 8 in 7s81
Go back to
Zinc Binding Sites List in 7s81
Zinc binding site 3 out
of 8 in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn200
b:154.5
occ:1.00
|
ND1
|
A:HIS53
|
2.0
|
133.8
|
1.0
|
|
SG
|
A:CYS24
|
2.3
|
136.3
|
1.0
|
|
SG
|
A:CYS21
|
2.3
|
160.6
|
1.0
|
|
SG
|
A:CYS56
|
2.3
|
144.1
|
1.0
|
|
HB2
|
A:HIS53
|
2.8
|
241.9
|
1.0
|
|
HB2
|
A:CYS21
|
2.9
|
153.2
|
1.0
|
|
CE1
|
A:HIS53
|
2.9
|
173.3
|
1.0
|
|
CG
|
A:HIS53
|
3.0
|
132.8
|
1.0
|
|
CB
|
A:CYS21
|
3.0
|
134.9
|
1.0
|
|
HB3
|
A:CYS21
|
3.1
|
153.2
|
1.0
|
|
HE1
|
A:HIS53
|
3.1
|
209.7
|
1.0
|
|
H
|
A:HIS53
|
3.2
|
164.0
|
1.0
|
|
HB2
|
A:CYS56
|
3.2
|
175.0
|
1.0
|
|
H
|
A:CYS24
|
3.3
|
223.0
|
1.0
|
|
CB
|
A:CYS56
|
3.3
|
144.4
|
1.0
|
|
CB
|
A:HIS53
|
3.4
|
200.2
|
1.0
|
|
HB3
|
A:CYS56
|
3.6
|
175.0
|
1.0
|
|
CB
|
A:CYS24
|
3.7
|
238.0
|
1.0
|
|
HB3
|
A:CYS24
|
3.7
|
287.4
|
1.0
|
|
N
|
A:HIS53
|
3.9
|
135.2
|
1.0
|
|
NE2
|
A:HIS53
|
4.0
|
135.3
|
1.0
|
|
HB3
|
A:LYS23
|
4.0
|
161.4
|
1.0
|
|
CD2
|
A:HIS53
|
4.0
|
133.8
|
1.0
|
|
N
|
A:CYS24
|
4.1
|
184.4
|
1.0
|
|
HB3
|
A:HIS53
|
4.1
|
241.9
|
1.0
|
|
CA
|
A:HIS53
|
4.3
|
130.6
|
1.0
|
|
H
|
A:LYS23
|
4.4
|
200.7
|
1.0
|
|
H
|
A:CYS56
|
4.4
|
147.7
|
1.0
|
|
HB2
|
A:CYS24
|
4.4
|
287.4
|
1.0
|
|
CA
|
A:CYS21
|
4.5
|
135.4
|
1.0
|
|
CA
|
A:CYS24
|
4.5
|
241.9
|
1.0
|
|
HA
|
A:TYR52
|
4.6
|
175.3
|
1.0
|
|
CA
|
A:CYS56
|
4.7
|
159.5
|
1.0
|
|
HA
|
A:CYS21
|
4.7
|
153.8
|
1.0
|
|
HE2
|
A:HIS53
|
4.8
|
153.7
|
1.0
|
|
H
|
A:GLU26
|
4.8
|
240.1
|
1.0
|
|
H
|
A:SER25
|
4.8
|
159.0
|
1.0
|
|
HD2
|
A:HIS53
|
4.9
|
151.8
|
1.0
|
|
N
|
A:CYS56
|
4.9
|
130.3
|
1.0
|
|
HA
|
A:HIS53
|
4.9
|
148.0
|
1.0
|
|
CB
|
A:LYS23
|
5.0
|
135.4
|
1.0
|
|
H
|
A:LYS22
|
5.0
|
224.8
|
1.0
|
|
HB2
|
A:GLU26
|
5.0
|
221.5
|
1.0
|
|
Zinc binding site 4 out
of 8 in 7s81
Go back to
Zinc Binding Sites List in 7s81
Zinc binding site 4 out
of 8 in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Zn400
b:224.5
occ:1.00
|
SG
|
G:CYS295
|
2.3
|
187.6
|
1.0
|
|
SG
|
G:CYS298
|
2.3
|
188.3
|
1.0
|
|
SG
|
G:CYS311
|
2.3
|
190.8
|
1.0
|
|
SG
|
G:CYS321
|
2.3
|
210.9
|
1.0
|
|
HG21
|
G:VAL323
|
2.9
|
214.2
|
1.0
|
|
HB3
|
G:CYS321
|
3.1
|
217.7
|
1.0
|
|
CB
|
G:CYS321
|
3.3
|
188.7
|
1.0
|
|
HB3
|
G:CYS311
|
3.3
|
231.5
|
1.0
|
|
HB
|
G:VAL323
|
3.3
|
215.6
|
1.0
|
|
CB
|
G:CYS311
|
3.3
|
191.5
|
1.0
|
|
H
|
G:CYS298
|
3.4
|
213.8
|
1.0
|
|
HB2
|
G:CYS295
|
3.5
|
217.7
|
1.0
|
|
HB2
|
G:CYS311
|
3.5
|
231.5
|
1.0
|
|
CB
|
G:CYS295
|
3.5
|
188.7
|
1.0
|
|
HB2
|
G:CYS321
|
3.5
|
217.7
|
1.0
|
|
CG2
|
G:VAL323
|
3.6
|
185.8
|
1.0
|
|
HG23
|
G:VAL323
|
3.6
|
214.2
|
1.0
|
|
HB3
|
G:CYS295
|
3.8
|
217.7
|
1.0
|
|
CB
|
G:CYS298
|
3.8
|
192.8
|
1.0
|
|
HB3
|
G:CYS298
|
3.8
|
233.0
|
1.0
|
|
CB
|
G:VAL323
|
4.0
|
186.9
|
1.0
|
|
H
|
G:VAL323
|
4.0
|
216.3
|
1.0
|
|
H
|
G:GLY313
|
4.1
|
222.7
|
1.0
|
|
N
|
G:CYS298
|
4.2
|
185.4
|
1.0
|
|
H
|
G:GLY300
|
4.3
|
222.2
|
1.0
|
|
HA3
|
G:GLY313
|
4.3
|
221.3
|
1.0
|
|
H
|
G:GLU297
|
4.3
|
223.7
|
1.0
|
|
HB2
|
G:CYS298
|
4.4
|
233.0
|
1.0
|
|
HG22
|
G:VAL323
|
4.4
|
214.2
|
1.0
|
|
HB2
|
G:GLU297
|
4.6
|
259.4
|
1.0
|
|
H
|
G:GLU296
|
4.6
|
214.4
|
1.0
|
|
CA
|
G:CYS298
|
4.6
|
197.2
|
1.0
|
|
CA
|
G:CYS321
|
4.6
|
188.8
|
1.0
|
|
HG11
|
G:VAL323
|
4.7
|
215.0
|
1.0
|
|
CA
|
G:CYS311
|
4.7
|
193.0
|
1.0
|
|
N
|
G:VAL323
|
4.8
|
187.5
|
1.0
|
|
H
|
G:SER299
|
4.8
|
322.1
|
1.0
|
|
CA
|
G:CYS295
|
4.8
|
198.1
|
1.0
|
|
N
|
G:GLY313
|
4.9
|
192.8
|
1.0
|
|
CG1
|
G:VAL323
|
4.9
|
186.4
|
1.0
|
|
HA
|
G:CYS295
|
4.9
|
239.5
|
1.0
|
|
C
|
G:CYS321
|
4.9
|
231.6
|
1.0
|
|
HA3
|
G:GLY300
|
5.0
|
220.5
|
1.0
|
|
CA
|
G:GLY313
|
5.0
|
191.7
|
1.0
|
|
Zinc binding site 5 out
of 8 in 7s81
Go back to
Zinc Binding Sites List in 7s81
Zinc binding site 5 out
of 8 in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Zn400
b:267.7
occ:1.00
|
SG
|
O:CYS295
|
2.3
|
149.3
|
1.0
|
|
SG
|
O:CYS298
|
2.3
|
128.6
|
1.0
|
|
SG
|
O:CYS311
|
2.3
|
125.6
|
1.0
|
|
SG
|
O:CYS321
|
2.3
|
185.9
|
1.0
|
|
HG21
|
O:VAL323
|
2.8
|
284.7
|
1.0
|
|
HB3
|
O:CYS321
|
3.1
|
226.8
|
1.0
|
|
CB
|
O:CYS321
|
3.3
|
187.5
|
1.0
|
|
HB3
|
O:CYS311
|
3.3
|
252.0
|
1.0
|
|
CB
|
O:CYS311
|
3.3
|
208.5
|
1.0
|
|
HB
|
O:VAL323
|
3.3
|
143.5
|
1.0
|
|
H
|
O:CYS298
|
3.4
|
207.5
|
1.0
|
|
HB2
|
O:CYS311
|
3.5
|
252.0
|
1.0
|
|
HB2
|
O:CYS295
|
3.5
|
305.1
|
1.0
|
|
CB
|
O:CYS295
|
3.5
|
252.8
|
1.0
|
|
HB2
|
O:CYS321
|
3.5
|
226.8
|
1.0
|
|
CG2
|
O:VAL323
|
3.6
|
235.8
|
1.0
|
|
HG23
|
O:VAL323
|
3.6
|
284.7
|
1.0
|
|
HB3
|
O:CYS295
|
3.8
|
305.1
|
1.0
|
|
CB
|
O:CYS298
|
3.8
|
225.4
|
1.0
|
|
HB3
|
O:CYS298
|
3.8
|
272.2
|
1.0
|
|
CB
|
O:VAL323
|
3.9
|
123.6
|
1.0
|
|
H
|
O:VAL323
|
4.0
|
165.9
|
1.0
|
|
H
|
O:GLY313
|
4.1
|
144.4
|
1.0
|
|
N
|
O:CYS298
|
4.2
|
171.5
|
1.0
|
|
HA3
|
O:GLY313
|
4.3
|
204.9
|
1.0
|
|
H
|
O:GLY300
|
4.3
|
257.7
|
1.0
|
|
H
|
O:GLU297
|
4.3
|
259.8
|
1.0
|
|
HG22
|
O:VAL323
|
4.4
|
284.7
|
1.0
|
|
HB2
|
O:CYS298
|
4.4
|
272.2
|
1.0
|
|
HB2
|
O:GLU297
|
4.6
|
286.8
|
1.0
|
|
H
|
O:GLU296
|
4.6
|
240.9
|
1.0
|
|
CA
|
O:CYS298
|
4.6
|
222.9
|
1.0
|
|
CA
|
O:CYS321
|
4.6
|
130.0
|
1.0
|
|
HG11
|
O:VAL323
|
4.7
|
162.9
|
1.0
|
|
CA
|
O:CYS311
|
4.7
|
139.8
|
1.0
|
|
N
|
O:VAL323
|
4.8
|
136.8
|
1.0
|
|
H
|
O:SER299
|
4.8
|
292.2
|
1.0
|
|
CA
|
O:CYS295
|
4.8
|
245.0
|
1.0
|
|
N
|
O:GLY313
|
4.8
|
127.6
|
1.0
|
|
CG1
|
O:VAL323
|
4.9
|
134.3
|
1.0
|
|
HA
|
O:CYS295
|
4.9
|
295.7
|
1.0
|
|
C
|
O:CYS321
|
4.9
|
168.8
|
1.0
|
|
CA
|
O:GLY313
|
5.0
|
169.3
|
1.0
|
|
Zinc binding site 6 out
of 8 in 7s81
Go back to
Zinc Binding Sites List in 7s81
Zinc binding site 6 out
of 8 in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Zn400
b:143.3
occ:1.00
|
SG
|
J:CYS295
|
2.3
|
134.0
|
1.0
|
|
SG
|
J:CYS311
|
2.3
|
131.1
|
1.0
|
|
SG
|
J:CYS298
|
2.3
|
133.0
|
1.0
|
|
SG
|
J:CYS321
|
2.3
|
142.4
|
1.0
|
|
HG21
|
J:VAL323
|
2.9
|
297.1
|
1.0
|
|
HB3
|
J:CYS321
|
3.1
|
273.6
|
1.0
|
|
CB
|
J:CYS321
|
3.3
|
226.5
|
1.0
|
|
HB3
|
J:CYS311
|
3.3
|
149.1
|
1.0
|
|
CB
|
J:CYS311
|
3.3
|
131.5
|
1.0
|
|
HB
|
J:VAL323
|
3.3
|
154.6
|
1.0
|
|
HB2
|
J:CYS295
|
3.4
|
269.2
|
1.0
|
|
H
|
J:CYS298
|
3.4
|
167.6
|
1.0
|
|
HB2
|
J:CYS311
|
3.5
|
149.1
|
1.0
|
|
CB
|
J:CYS295
|
3.5
|
222.9
|
1.0
|
|
HB2
|
J:CYS321
|
3.6
|
273.6
|
1.0
|
|
CG2
|
J:VAL323
|
3.6
|
246.1
|
1.0
|
|
HG23
|
J:VAL323
|
3.6
|
297.1
|
1.0
|
|
HB3
|
J:CYS295
|
3.7
|
269.2
|
1.0
|
|
CB
|
J:CYS298
|
3.8
|
173.4
|
1.0
|
|
HB3
|
J:CYS298
|
3.8
|
209.9
|
1.0
|
|
CB
|
J:VAL323
|
3.9
|
136.1
|
1.0
|
|
H
|
J:VAL323
|
4.0
|
155.6
|
1.0
|
|
H
|
J:GLY313
|
4.1
|
161.8
|
1.0
|
|
N
|
J:CYS298
|
4.2
|
138.2
|
1.0
|
|
H
|
J:GLY300
|
4.3
|
232.6
|
1.0
|
|
HA3
|
J:GLY313
|
4.3
|
167.7
|
1.0
|
|
H
|
J:GLU297
|
4.3
|
207.1
|
1.0
|
|
HG22
|
J:VAL323
|
4.4
|
297.1
|
1.0
|
|
HB2
|
J:CYS298
|
4.4
|
209.9
|
1.0
|
|
H
|
J:GLU296
|
4.6
|
253.8
|
1.0
|
|
HB2
|
J:GLU297
|
4.6
|
193.8
|
1.0
|
|
CA
|
J:CYS298
|
4.6
|
158.4
|
1.0
|
|
CA
|
J:CYS321
|
4.7
|
142.7
|
1.0
|
|
HG11
|
J:VAL323
|
4.7
|
235.3
|
1.0
|
|
CA
|
J:CYS311
|
4.7
|
130.3
|
1.0
|
|
N
|
J:VAL323
|
4.8
|
136.9
|
1.0
|
|
H
|
J:SER299
|
4.8
|
280.2
|
1.0
|
|
CA
|
J:CYS295
|
4.8
|
213.3
|
1.0
|
|
N
|
J:GLY313
|
4.8
|
133.4
|
1.0
|
|
HA
|
J:CYS295
|
4.9
|
257.7
|
1.0
|
|
CG1
|
J:VAL323
|
4.9
|
194.6
|
1.0
|
|
C
|
J:CYS321
|
5.0
|
136.5
|
1.0
|
|
CA
|
J:GLY313
|
5.0
|
138.3
|
1.0
|
|
HA3
|
J:GLY300
|
5.0
|
204.8
|
1.0
|
|
Zinc binding site 7 out
of 8 in 7s81
Go back to
Zinc Binding Sites List in 7s81
Zinc binding site 7 out
of 8 in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn200
b:246.8
occ:1.00
|
ND1
|
F:HIS53
|
2.0
|
250.2
|
1.0
|
|
SG
|
F:CYS24
|
2.3
|
280.3
|
1.0
|
|
SG
|
F:CYS56
|
2.3
|
305.0
|
1.0
|
|
SG
|
F:CYS21
|
2.3
|
216.8
|
1.0
|
|
HB2
|
F:HIS53
|
2.8
|
314.2
|
1.0
|
|
HB2
|
F:CYS21
|
2.9
|
323.5
|
1.0
|
|
CE1
|
F:HIS53
|
3.0
|
258.5
|
1.0
|
|
CG
|
F:HIS53
|
3.0
|
246.5
|
1.0
|
|
CB
|
F:CYS21
|
3.0
|
268.1
|
1.0
|
|
HB3
|
F:CYS21
|
3.1
|
323.5
|
1.0
|
|
HE1
|
F:HIS53
|
3.2
|
312.0
|
1.0
|
|
HB2
|
F:CYS56
|
3.2
|
377.4
|
1.0
|
|
H
|
F:HIS53
|
3.2
|
307.6
|
1.0
|
|
H
|
F:CYS24
|
3.3
|
332.0
|
1.0
|
|
CB
|
F:CYS56
|
3.3
|
313.1
|
1.0
|
|
CB
|
F:HIS53
|
3.4
|
260.4
|
1.0
|
|
HB3
|
F:CYS56
|
3.6
|
377.4
|
1.0
|
|
CB
|
F:CYS24
|
3.7
|
279.1
|
1.0
|
|
HB3
|
F:CYS24
|
3.7
|
336.6
|
1.0
|
|
N
|
F:HIS53
|
3.9
|
254.9
|
1.0
|
|
HB3
|
F:LYS23
|
4.0
|
255.4
|
1.0
|
|
NE2
|
F:HIS53
|
4.0
|
254.0
|
1.0
|
|
CD2
|
F:HIS53
|
4.0
|
249.9
|
1.0
|
|
N
|
F:CYS24
|
4.1
|
275.2
|
1.0
|
|
HB3
|
F:HIS53
|
4.1
|
314.2
|
1.0
|
|
CA
|
F:HIS53
|
4.3
|
239.2
|
1.0
|
|
H
|
F:LYS23
|
4.3
|
254.2
|
1.0
|
|
H
|
F:CYS56
|
4.4
|
369.2
|
1.0
|
|
HB2
|
F:CYS24
|
4.4
|
336.6
|
1.0
|
|
CA
|
F:CYS24
|
4.5
|
279.3
|
1.0
|
|
CA
|
F:CYS21
|
4.5
|
229.1
|
1.0
|
|
HA
|
F:TYR52
|
4.6
|
249.1
|
1.0
|
|
CA
|
F:CYS56
|
4.7
|
305.0
|
1.0
|
|
HA
|
F:CYS21
|
4.7
|
276.7
|
1.0
|
|
HE2
|
F:HIS53
|
4.8
|
306.6
|
1.0
|
|
H
|
F:GLU26
|
4.8
|
341.3
|
1.0
|
|
H
|
F:SER25
|
4.8
|
285.0
|
1.0
|
|
HD2
|
F:HIS53
|
4.9
|
301.7
|
1.0
|
|
N
|
F:CYS56
|
4.9
|
306.2
|
1.0
|
|
CB
|
F:LYS23
|
4.9
|
220.1
|
1.0
|
|
HA
|
F:HIS53
|
4.9
|
288.8
|
1.0
|
|
H
|
F:LYS22
|
5.0
|
311.0
|
1.0
|
|
Zinc binding site 8 out
of 8 in 7s81
Go back to
Zinc Binding Sites List in 7s81
Zinc binding site 8 out
of 8 in the Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break.
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Structure of Human PARP1 Domains (ZN1, ZN3, Wgr, Hd) Bound to A Dna Double Strand Break. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn400
b:198.6
occ:1.00
|
SG
|
B:CYS311
|
2.3
|
191.0
|
1.0
|
|
SG
|
B:CYS295
|
2.3
|
188.7
|
1.0
|
|
SG
|
B:CYS321
|
2.3
|
227.0
|
1.0
|
|
SG
|
B:CYS298
|
2.3
|
148.6
|
1.0
|
|
HG21
|
B:VAL323
|
2.8
|
223.8
|
1.0
|
|
HB3
|
B:CYS321
|
3.1
|
204.5
|
1.0
|
|
CB
|
B:CYS321
|
3.3
|
168.9
|
1.0
|
|
HB3
|
B:CYS311
|
3.3
|
189.9
|
1.0
|
|
HB
|
B:VAL323
|
3.3
|
151.8
|
1.0
|
|
CB
|
B:CYS311
|
3.3
|
156.8
|
1.0
|
|
HB2
|
B:CYS311
|
3.4
|
189.9
|
1.0
|
|
H
|
B:CYS298
|
3.4
|
162.3
|
1.0
|
|
HB2
|
B:CYS295
|
3.5
|
249.6
|
1.0
|
|
CB
|
B:CYS295
|
3.5
|
206.5
|
1.0
|
|
HB2
|
B:CYS321
|
3.6
|
204.5
|
1.0
|
|
CG2
|
B:VAL323
|
3.6
|
185.0
|
1.0
|
|
HG23
|
B:VAL323
|
3.6
|
223.8
|
1.0
|
|
HB3
|
B:CYS295
|
3.8
|
249.6
|
1.0
|
|
CB
|
B:CYS298
|
3.8
|
182.3
|
1.0
|
|
HB3
|
B:CYS298
|
3.8
|
220.5
|
1.0
|
|
CB
|
B:VAL323
|
3.9
|
125.9
|
1.0
|
|
H
|
B:VAL323
|
4.0
|
201.0
|
1.0
|
|
H
|
B:GLY313
|
4.1
|
151.1
|
1.0
|
|
N
|
B:CYS298
|
4.2
|
142.5
|
1.0
|
|
HA3
|
B:GLY313
|
4.3
|
198.6
|
1.0
|
|
H
|
B:GLY300
|
4.3
|
308.1
|
1.0
|
|
H
|
B:GLU297
|
4.3
|
283.6
|
1.0
|
|
HG22
|
B:VAL323
|
4.4
|
223.8
|
1.0
|
|
HB2
|
B:CYS298
|
4.5
|
220.5
|
1.0
|
|
H
|
B:GLU296
|
4.6
|
321.4
|
1.0
|
|
HB2
|
B:GLU297
|
4.6
|
291.3
|
1.0
|
|
CA
|
B:CYS298
|
4.6
|
185.2
|
1.0
|
|
CA
|
B:CYS321
|
4.6
|
133.8
|
1.0
|
|
HG11
|
B:VAL323
|
4.7
|
241.4
|
1.0
|
|
CA
|
B:CYS311
|
4.7
|
165.9
|
1.0
|
|
N
|
B:VAL323
|
4.8
|
166.1
|
1.0
|
|
CA
|
B:CYS295
|
4.8
|
228.3
|
1.0
|
|
H
|
B:SER299
|
4.8
|
303.3
|
1.0
|
|
N
|
B:GLY313
|
4.8
|
133.2
|
1.0
|
|
CG1
|
B:VAL323
|
4.9
|
199.7
|
1.0
|
|
HA
|
B:CYS295
|
4.9
|
275.7
|
1.0
|
|
C
|
B:CYS321
|
4.9
|
165.0
|
1.0
|
|
CA
|
B:GLY313
|
5.0
|
164.1
|
1.0
|
|
HA3
|
B:GLY300
|
5.0
|
256.0
|
1.0
|
|
CA
|
B:VAL323
|
5.0
|
171.0
|
1.0
|
|
Reference:
E.Rouleau-Turcotte,
D.B.Krastev,
S.J.Pettitt,
C.J.Lord,
J.M.Pascal.
Captured Snapshots of PARP1 in the Active State Reveal the Mechanics of PARP1 Allostery. Mol.Cell V. 82 2939 2022.
ISSN: ISSN 1097-2765
PubMed: 35793673
DOI: 10.1016/J.MOLCEL.2022.06.011
Page generated: Wed Oct 30 10:39:59 2024
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