Magnesium in PDB 6t66: Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
Enzymatic activity of Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
All present enzymatic activity of Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4:
3.6.4.12;
Protein crystallography data
The structure of Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4, PDB code: 6t66
was solved by
P.Legrand,
S.Quevillon-Cheruel,
I.Li De La Sierra-Gallay,
H.Walbott,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.63 /
3.90
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
118.978,
123.292,
263.493,
90,
90,
90
|
R / Rfree (%)
|
25.5 /
27.6
|
Other elements in 6t66:
The structure of Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4 also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
(pdb code 6t66). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4, PDB code: 6t66:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 6t66
Go back to
Magnesium Binding Sites List in 6t66
Magnesium binding site 1 out
of 6 in the Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
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 the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg502
b:63.7
occ:1.00
|
OG1
|
A:THR235
|
1.9
|
151.9
|
1.0
|
F2
|
A:ALF503
|
2.3
|
175.2
|
1.0
|
O2B
|
A:GDP501
|
2.6
|
151.4
|
1.0
|
CE
|
A:MET260
|
3.2
|
165.0
|
1.0
|
OE1
|
A:GLU259
|
3.2
|
176.5
|
1.0
|
CB
|
A:THR235
|
3.3
|
152.4
|
1.0
|
OD1
|
A:ASP340
|
3.4
|
165.2
|
1.0
|
F3
|
A:ALF503
|
3.6
|
175.5
|
1.0
|
AL
|
A:ALF503
|
3.8
|
175.6
|
1.0
|
PB
|
A:GDP501
|
3.9
|
152.1
|
1.0
|
CD
|
A:GLU259
|
4.1
|
184.8
|
1.0
|
N
|
A:THR235
|
4.1
|
144.9
|
1.0
|
CG2
|
A:THR235
|
4.1
|
150.8
|
1.0
|
CA
|
A:THR235
|
4.2
|
145.0
|
1.0
|
O3B
|
A:GDP501
|
4.2
|
151.9
|
1.0
|
CG
|
A:ASP340
|
4.3
|
165.2
|
1.0
|
O
|
A:ASP340
|
4.3
|
156.7
|
1.0
|
OD2
|
A:ASP340
|
4.5
|
171.4
|
1.0
|
O3A
|
A:GDP501
|
4.5
|
153.0
|
1.0
|
O1A
|
A:GDP501
|
4.5
|
154.2
|
1.0
|
CD1
|
A:TYR341
|
4.6
|
158.3
|
1.0
|
OE2
|
A:GLU259
|
4.7
|
177.3
|
1.0
|
O2A
|
A:GDP501
|
4.7
|
154.4
|
1.0
|
SD
|
A:MET260
|
4.7
|
168.3
|
1.0
|
CB
|
A:GLU259
|
4.7
|
159.7
|
1.0
|
CE1
|
A:TYR341
|
4.8
|
159.2
|
1.0
|
CB
|
A:LYS234
|
4.8
|
145.2
|
1.0
|
F4
|
A:ALF503
|
4.8
|
176.0
|
1.0
|
PA
|
A:GDP501
|
4.9
|
154.2
|
1.0
|
CG
|
A:GLU259
|
4.9
|
168.8
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 6t66
Go back to
Magnesium Binding Sites List in 6t66
Magnesium binding site 2 out
of 6 in the Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
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 the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg502
b:52.1
occ:1.00
|
OG1
|
B:THR235
|
1.9
|
131.2
|
1.0
|
F2
|
B:ALF503
|
2.3
|
160.8
|
1.0
|
O2B
|
B:GDP501
|
2.6
|
145.8
|
1.0
|
CE
|
B:MET260
|
3.2
|
155.6
|
1.0
|
OE1
|
B:GLU259
|
3.2
|
160.7
|
1.0
|
CB
|
B:THR235
|
3.3
|
133.0
|
1.0
|
OD1
|
B:ASP340
|
3.4
|
147.1
|
1.0
|
F3
|
B:ALF503
|
3.6
|
160.5
|
1.0
|
AL
|
B:ALF503
|
3.9
|
160.6
|
1.0
|
PB
|
B:GDP501
|
3.9
|
146.1
|
1.0
|
CD
|
B:GLU259
|
4.0
|
171.8
|
1.0
|
N
|
B:THR235
|
4.1
|
127.4
|
1.0
|
CG2
|
B:THR235
|
4.1
|
131.4
|
1.0
|
CA
|
B:THR235
|
4.2
|
127.1
|
1.0
|
CG
|
B:ASP340
|
4.3
|
146.5
|
1.0
|
O3B
|
B:GDP501
|
4.3
|
146.2
|
1.0
|
O
|
B:ASP340
|
4.3
|
139.7
|
1.0
|
OD2
|
B:ASP340
|
4.5
|
151.6
|
1.0
|
O3A
|
B:GDP501
|
4.5
|
145.3
|
1.0
|
O1A
|
B:GDP501
|
4.5
|
144.2
|
1.0
|
OE2
|
B:GLU259
|
4.6
|
165.3
|
1.0
|
O2A
|
B:GDP501
|
4.6
|
145.2
|
1.0
|
CD1
|
B:TYR341
|
4.7
|
143.6
|
1.0
|
SD
|
B:MET260
|
4.7
|
158.9
|
1.0
|
CB
|
B:GLU259
|
4.7
|
147.7
|
1.0
|
CE1
|
B:TYR341
|
4.8
|
144.8
|
1.0
|
CB
|
B:LYS234
|
4.8
|
129.6
|
1.0
|
F4
|
B:ALF503
|
4.8
|
161.0
|
1.0
|
PA
|
B:GDP501
|
4.9
|
145.0
|
1.0
|
CG
|
B:GLU259
|
4.9
|
156.5
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 6t66
Go back to
Magnesium Binding Sites List in 6t66
Magnesium binding site 3 out
of 6 in the Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
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 the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg502
b:34.8
occ:1.00
|
OG1
|
C:THR235
|
1.9
|
139.6
|
1.0
|
F2
|
C:ALF503
|
2.3
|
161.8
|
1.0
|
O3B
|
C:GDP501
|
2.6
|
142.2
|
1.0
|
OE1
|
C:GLU259
|
3.2
|
177.6
|
1.0
|
CE
|
C:MET260
|
3.2
|
172.0
|
1.0
|
CB
|
C:THR235
|
3.3
|
141.2
|
1.0
|
OD1
|
C:ASP340
|
3.4
|
160.9
|
1.0
|
F3
|
C:ALF503
|
3.6
|
162.0
|
1.0
|
AL
|
C:ALF503
|
3.9
|
161.9
|
1.0
|
PB
|
C:GDP501
|
3.9
|
142.3
|
1.0
|
CD
|
C:GLU259
|
4.1
|
186.5
|
1.0
|
N
|
C:THR235
|
4.1
|
134.6
|
1.0
|
CG2
|
C:THR235
|
4.1
|
139.7
|
1.0
|
CA
|
C:THR235
|
4.2
|
134.4
|
1.0
|
CG
|
C:ASP340
|
4.3
|
161.1
|
1.0
|
O1B
|
C:GDP501
|
4.3
|
142.9
|
1.0
|
O
|
C:ASP340
|
4.3
|
154.2
|
1.0
|
OD2
|
C:ASP340
|
4.5
|
167.1
|
1.0
|
O3A
|
C:GDP501
|
4.5
|
142.3
|
1.0
|
O2A
|
C:GDP501
|
4.5
|
141.6
|
1.0
|
OE2
|
C:GLU259
|
4.6
|
178.6
|
1.0
|
CD1
|
C:TYR341
|
4.6
|
155.6
|
1.0
|
O1A
|
C:GDP501
|
4.7
|
142.6
|
1.0
|
SD
|
C:MET260
|
4.7
|
175.3
|
1.0
|
CB
|
C:GLU259
|
4.8
|
164.6
|
1.0
|
CE1
|
C:TYR341
|
4.8
|
156.3
|
1.0
|
CB
|
C:LYS234
|
4.8
|
135.5
|
1.0
|
F4
|
C:ALF503
|
4.8
|
161.8
|
1.0
|
PA
|
C:GDP501
|
4.9
|
142.3
|
1.0
|
CG
|
C:GLU259
|
4.9
|
172.5
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 6t66
Go back to
Magnesium Binding Sites List in 6t66
Magnesium binding site 4 out
of 6 in the Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
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 the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg502
b:74.6
occ:1.00
|
OG1
|
D:THR235
|
1.9
|
183.2
|
1.0
|
F2
|
D:ALF503
|
2.3
|
272.9
|
1.0
|
O3B
|
D:GDP501
|
2.6
|
220.8
|
1.0
|
CE
|
D:MET260
|
3.1
|
184.8
|
1.0
|
OE1
|
D:GLU259
|
3.2
|
199.3
|
1.0
|
CB
|
D:THR235
|
3.3
|
183.4
|
1.0
|
OD1
|
D:ASP340
|
3.4
|
171.2
|
1.0
|
F3
|
D:ALF503
|
3.5
|
272.6
|
1.0
|
AL
|
D:ALF503
|
3.9
|
272.6
|
1.0
|
PB
|
D:GDP501
|
3.9
|
220.2
|
1.0
|
CD
|
D:GLU259
|
4.1
|
206.1
|
1.0
|
N
|
D:THR235
|
4.1
|
174.9
|
1.0
|
CG2
|
D:THR235
|
4.1
|
182.3
|
1.0
|
CA
|
D:THR235
|
4.2
|
174.8
|
1.0
|
CG
|
D:ASP340
|
4.3
|
170.7
|
1.0
|
O1B
|
D:GDP501
|
4.3
|
220.4
|
1.0
|
O
|
D:ASP340
|
4.3
|
164.1
|
1.0
|
OD2
|
D:ASP340
|
4.5
|
175.9
|
1.0
|
O3A
|
D:GDP501
|
4.5
|
219.1
|
1.0
|
O2A
|
D:GDP501
|
4.6
|
217.9
|
1.0
|
OE2
|
D:GLU259
|
4.6
|
200.4
|
1.0
|
CD1
|
D:TYR341
|
4.7
|
165.9
|
1.0
|
O1A
|
D:GDP501
|
4.7
|
218.1
|
1.0
|
SD
|
D:MET260
|
4.7
|
188.1
|
1.0
|
CB
|
D:GLU259
|
4.7
|
177.1
|
1.0
|
CE1
|
D:TYR341
|
4.8
|
166.8
|
1.0
|
F4
|
D:ALF503
|
4.8
|
272.7
|
1.0
|
CB
|
D:LYS234
|
4.8
|
176.0
|
1.0
|
PA
|
D:GDP501
|
4.9
|
218.1
|
1.0
|
CG
|
D:GLU259
|
4.9
|
186.7
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 6t66
Go back to
Magnesium Binding Sites List in 6t66
Magnesium binding site 5 out
of 6 in the Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
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 the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg502
b:74.6
occ:1.00
|
OG1
|
E:THR235
|
1.9
|
198.6
|
1.0
|
F2
|
E:ALF503
|
2.3
|
218.7
|
1.0
|
O2B
|
E:GDP501
|
2.6
|
187.7
|
1.0
|
OE1
|
E:GLU259
|
3.2
|
229.7
|
1.0
|
CE
|
E:MET260
|
3.2
|
204.4
|
1.0
|
CB
|
E:THR235
|
3.3
|
199.3
|
1.0
|
OD1
|
E:ASP340
|
3.4
|
235.3
|
1.0
|
F3
|
E:ALF503
|
3.6
|
218.6
|
1.0
|
AL
|
E:ALF503
|
3.9
|
218.5
|
1.0
|
PB
|
E:GDP501
|
3.9
|
187.7
|
1.0
|
CD
|
E:GLU259
|
4.1
|
235.3
|
1.0
|
N
|
E:THR235
|
4.1
|
192.2
|
1.0
|
CG2
|
E:THR235
|
4.1
|
197.9
|
1.0
|
CA
|
E:THR235
|
4.2
|
191.8
|
1.0
|
CG
|
E:ASP340
|
4.3
|
235.0
|
1.0
|
O3B
|
E:GDP501
|
4.3
|
187.7
|
1.0
|
O
|
E:ASP340
|
4.3
|
228.6
|
1.0
|
OD2
|
E:ASP340
|
4.5
|
240.0
|
1.0
|
O3A
|
E:GDP501
|
4.5
|
187.0
|
1.0
|
O2A
|
E:GDP501
|
4.6
|
186.2
|
1.0
|
CD1
|
E:TYR341
|
4.6
|
229.3
|
1.0
|
OE2
|
E:GLU259
|
4.6
|
232.1
|
1.0
|
O1A
|
E:GDP501
|
4.7
|
186.2
|
1.0
|
SD
|
E:MET260
|
4.7
|
207.8
|
1.0
|
CB
|
E:GLU259
|
4.7
|
201.6
|
1.0
|
CE1
|
E:TYR341
|
4.8
|
229.9
|
1.0
|
CB
|
E:LYS234
|
4.8
|
195.7
|
1.0
|
F4
|
E:ALF503
|
4.8
|
218.4
|
1.0
|
PA
|
E:GDP501
|
4.9
|
186.3
|
1.0
|
CG
|
E:GLU259
|
4.9
|
212.6
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 6t66
Go back to
Magnesium Binding Sites List in 6t66
Magnesium binding site 6 out
of 6 in the Crystal Structure of the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4
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 the Vibrio Cholerae Replicative Helicase (Dnab) with Gdp-ALF4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg502
b:92.1
occ:1.00
|
OG1
|
F:THR235
|
1.9
|
195.2
|
1.0
|
F2
|
F:ALF503
|
2.3
|
287.2
|
1.0
|
O2B
|
F:GDP501
|
2.6
|
215.6
|
1.0
|
CE
|
F:MET260
|
3.2
|
197.5
|
1.0
|
OE1
|
F:GLU259
|
3.2
|
221.3
|
1.0
|
CB
|
F:THR235
|
3.3
|
195.9
|
1.0
|
OD1
|
F:ASP340
|
3.4
|
204.3
|
1.0
|
F3
|
F:ALF503
|
3.6
|
287.9
|
1.0
|
AL
|
F:ALF503
|
3.9
|
287.8
|
1.0
|
PB
|
F:GDP501
|
3.9
|
215.3
|
1.0
|
CD
|
F:GLU259
|
4.1
|
224.9
|
1.0
|
N
|
F:THR235
|
4.1
|
189.3
|
1.0
|
CG2
|
F:THR235
|
4.1
|
194.4
|
1.0
|
CA
|
F:THR235
|
4.2
|
188.5
|
1.0
|
CG
|
F:ASP340
|
4.3
|
204.2
|
1.0
|
O3B
|
F:GDP501
|
4.3
|
216.0
|
1.0
|
O
|
F:ASP340
|
4.3
|
199.0
|
1.0
|
OD2
|
F:ASP340
|
4.5
|
209.8
|
1.0
|
O3A
|
F:GDP501
|
4.5
|
214.3
|
1.0
|
O1A
|
F:GDP501
|
4.5
|
213.1
|
1.0
|
OE2
|
F:GLU259
|
4.6
|
219.5
|
1.0
|
CD1
|
F:TYR341
|
4.6
|
203.1
|
1.0
|
O2A
|
F:GDP501
|
4.6
|
213.1
|
1.0
|
SD
|
F:MET260
|
4.7
|
200.8
|
1.0
|
CB
|
F:GLU259
|
4.7
|
191.1
|
1.0
|
CE1
|
F:TYR341
|
4.8
|
204.1
|
1.0
|
CB
|
F:LYS234
|
4.8
|
193.6
|
1.0
|
F4
|
F:ALF503
|
4.8
|
288.0
|
1.0
|
PA
|
F:GDP501
|
4.9
|
213.3
|
1.0
|
CG
|
F:GLU259
|
4.9
|
202.5
|
1.0
|
|
Reference:
S.Marsin,
Y.Adam,
C.Cargemel,
J.Andreani,
S.Baconnais,
P.Legrand,
I.Li De La Sierra-Gallay,
A.Humbert,
M.Aumont-Nicaise,
C.Velours,
F.Ochsenbein,
D.Durand,
E.Le Cam,
H.Walbott,
C.Possoz,
S.Quevillon-Cheruel,
J.-L.Ferat.
Study of the Dnab:Dcia Interplay Reveals Insights Into the Primary Mode of Loading of the Bacterial Replicative Helicase To Be Published.
Page generated: Tue Oct 1 18:45:13 2024
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