Strontium in PDB 7tce: Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
Enzymatic activity of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
All present enzymatic activity of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.:
7.1.1.8;
Protein crystallography data
The structure of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone., PDB code: 7tce
was solved by
L.Esser,
D.Xia,
F.Zhou,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.43 /
3.85
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
127.273,
156.388,
141.407,
90,
96.67,
90
|
R / Rfree (%)
|
24.1 /
27.3
|
Other elements in 7tce:
The structure of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. also contains other interesting chemical elements:
Strontium Binding Sites:
The binding sites of Strontium atom in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
(pdb code 7tce). This binding sites where shown within
5.0 Angstroms radius around Strontium atom.
In total 6 binding sites of Strontium where determined in the
Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone., PDB code: 7tce:
Jump to Strontium binding site number:
1;
2;
3;
4;
5;
6;
Strontium binding site 1 out
of 6 in 7tce
Go back to
Strontium Binding Sites List in 7tce
Strontium binding site 1 out
of 6 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 1 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Sr1005
b:197.8
occ:1.00
|
HE1
|
A:TRP313
|
4.1
|
258.7
|
1.0
|
HB2
|
A:ASP311
|
4.4
|
259.6
|
1.0
|
OE1
|
A:GLN316
|
4.9
|
196.7
|
1.0
|
NE1
|
A:TRP313
|
4.9
|
215.5
|
1.0
|
|
Strontium binding site 2 out
of 6 in 7tce
Go back to
Strontium Binding Sites List in 7tce
Strontium binding site 2 out
of 6 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 2 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Sr1002
b:451.8
occ:1.00
|
OE1
|
B:GLU14
|
2.5
|
203.5
|
1.0
|
OD1
|
B:ASP8
|
2.5
|
238.0
|
1.0
|
OE2
|
B:GLU129
|
2.6
|
201.6
|
1.0
|
OE1
|
B:GLU129
|
2.6
|
202.5
|
1.0
|
O
|
B:VAL9
|
2.6
|
231.7
|
1.0
|
OE2
|
B:GLU14
|
2.6
|
203.6
|
1.0
|
CD
|
B:GLU129
|
2.7
|
200.0
|
1.0
|
CD
|
B:GLU14
|
2.9
|
204.1
|
1.0
|
H
|
B:VAL9
|
3.4
|
278.1
|
1.0
|
C
|
B:VAL9
|
3.6
|
229.8
|
1.0
|
HG2
|
B:GLU129
|
3.7
|
233.1
|
1.0
|
CG
|
B:ASP8
|
3.7
|
237.1
|
1.0
|
CG
|
B:GLU129
|
3.8
|
194.2
|
1.0
|
N
|
B:VAL9
|
3.9
|
231.7
|
1.0
|
HA
|
B:PRO10
|
3.9
|
275.0
|
1.0
|
H
|
B:PHE11
|
4.0
|
279.0
|
1.0
|
HA
|
B:ASP8
|
4.2
|
278.6
|
1.0
|
HZ
|
B:PHE110
|
4.2
|
212.9
|
1.0
|
HD2
|
B:PHE11
|
4.3
|
267.8
|
1.0
|
HG3
|
B:GLU129
|
4.4
|
233.1
|
1.0
|
CA
|
B:VAL9
|
4.4
|
229.6
|
1.0
|
OD2
|
B:ASP8
|
4.4
|
238.3
|
1.0
|
CG
|
B:GLU14
|
4.4
|
205.8
|
1.0
|
N
|
B:PRO10
|
4.5
|
228.4
|
1.0
|
HE2
|
B:PHE110
|
4.5
|
214.3
|
1.0
|
C
|
B:ASP8
|
4.6
|
234.6
|
1.0
|
CA
|
B:PRO10
|
4.6
|
229.1
|
1.0
|
HB
|
B:VAL9
|
4.6
|
274.4
|
1.0
|
HB3
|
B:GLU129
|
4.7
|
223.4
|
1.0
|
CA
|
B:ASP8
|
4.7
|
232.1
|
1.0
|
HG2
|
B:GLU14
|
4.7
|
247.1
|
1.0
|
N
|
B:PHE11
|
4.8
|
232.4
|
1.0
|
CB
|
B:ASP8
|
4.8
|
234.8
|
1.0
|
HG3
|
B:GLU14
|
4.9
|
247.1
|
1.0
|
CB
|
B:GLU129
|
4.9
|
186.1
|
1.0
|
CZ
|
B:PHE110
|
4.9
|
177.4
|
1.0
|
HB3
|
B:GLU14
|
5.0
|
249.6
|
1.0
|
HB2
|
B:PHE11
|
5.0
|
272.4
|
1.0
|
|
Strontium binding site 3 out
of 6 in 7tce
Go back to
Strontium Binding Sites List in 7tce
Strontium binding site 3 out
of 6 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 3 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Sr1006
b:172.8
occ:1.00
|
HE1
|
E:TRP313
|
3.2
|
210.5
|
1.0
|
HE1
|
K:TRP313
|
3.8
|
216.9
|
1.0
|
NE1
|
E:TRP313
|
4.0
|
175.3
|
1.0
|
HB2
|
E:ASP311
|
4.2
|
235.7
|
1.0
|
HD1
|
E:TRP313
|
4.3
|
210.3
|
1.0
|
HB2
|
K:ASP311
|
4.5
|
210.6
|
1.0
|
O
|
E:ASP311
|
4.5
|
195.0
|
1.0
|
OE1
|
K:GLN316
|
4.5
|
165.7
|
1.0
|
CD1
|
E:TRP313
|
4.6
|
175.2
|
1.0
|
NE1
|
K:TRP313
|
4.6
|
180.7
|
1.0
|
HD1
|
K:TRP313
|
4.6
|
213.0
|
1.0
|
OE1
|
E:GLN316
|
4.8
|
177.1
|
1.0
|
O
|
K:ASP311
|
4.8
|
160.0
|
1.0
|
CD1
|
K:TRP313
|
5.0
|
177.4
|
1.0
|
|
Strontium binding site 4 out
of 6 in 7tce
Go back to
Strontium Binding Sites List in 7tce
Strontium binding site 4 out
of 6 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 4 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Sr1002
b:287.9
occ:1.00
|
OE1
|
F:GLU14
|
2.5
|
206.6
|
1.0
|
OD1
|
F:ASP8
|
2.6
|
217.9
|
1.0
|
OE2
|
F:GLU129
|
2.6
|
222.4
|
1.0
|
OE1
|
F:GLU129
|
2.6
|
222.7
|
1.0
|
O
|
F:VAL9
|
2.6
|
202.5
|
1.0
|
OE2
|
F:GLU14
|
2.6
|
206.4
|
1.0
|
CD
|
F:GLU129
|
2.8
|
218.4
|
1.0
|
CD
|
F:GLU14
|
2.9
|
206.7
|
1.0
|
H
|
F:VAL9
|
3.5
|
258.7
|
1.0
|
C
|
F:VAL9
|
3.6
|
201.9
|
1.0
|
CG
|
F:ASP8
|
3.8
|
218.0
|
1.0
|
HA
|
F:PRO10
|
3.8
|
236.8
|
1.0
|
HZ
|
F:PHE110
|
3.8
|
210.6
|
1.0
|
N
|
F:VAL9
|
4.0
|
215.5
|
1.0
|
H
|
F:PHE11
|
4.0
|
244.3
|
1.0
|
HG2
|
F:GLU129
|
4.0
|
247.8
|
1.0
|
CG
|
F:GLU129
|
4.0
|
206.4
|
1.0
|
HD2
|
F:PHE11
|
4.2
|
236.9
|
1.0
|
HA
|
F:ASP8
|
4.3
|
261.4
|
1.0
|
OD2
|
F:ASP8
|
4.4
|
217.6
|
1.0
|
CA
|
F:VAL9
|
4.4
|
206.3
|
1.0
|
CG
|
F:GLU14
|
4.4
|
206.5
|
1.0
|
N
|
F:PRO10
|
4.5
|
197.2
|
1.0
|
HE2
|
F:PHE110
|
4.5
|
210.9
|
1.0
|
HG3
|
F:GLU129
|
4.5
|
247.8
|
1.0
|
CA
|
F:PRO10
|
4.6
|
197.2
|
1.0
|
CZ
|
F:PHE110
|
4.6
|
175.4
|
1.0
|
C
|
F:ASP8
|
4.6
|
222.8
|
1.0
|
HB
|
F:VAL9
|
4.7
|
241.0
|
1.0
|
N
|
F:PHE11
|
4.8
|
203.5
|
1.0
|
HG2
|
F:GLU14
|
4.8
|
247.9
|
1.0
|
CA
|
F:ASP8
|
4.8
|
217.8
|
1.0
|
HB3
|
F:GLU129
|
4.8
|
231.1
|
1.0
|
HG3
|
F:GLU14
|
4.9
|
247.9
|
1.0
|
CB
|
F:ASP8
|
4.9
|
218.1
|
1.0
|
O
|
F:ASN123
|
5.0
|
174.6
|
1.0
|
CE2
|
F:PHE110
|
5.0
|
175.7
|
1.0
|
HB2
|
F:PHE11
|
5.0
|
243.7
|
1.0
|
HB3
|
F:GLU14
|
5.0
|
246.3
|
1.0
|
|
Strontium binding site 5 out
of 6 in 7tce
Go back to
Strontium Binding Sites List in 7tce
Strontium binding site 5 out
of 6 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 5 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Sr1002
b:475.0
occ:1.00
|
OE1
|
L:GLU14
|
2.5
|
173.0
|
1.0
|
OD1
|
L:ASP8
|
2.5
|
212.6
|
1.0
|
OE2
|
L:GLU129
|
2.6
|
198.1
|
1.0
|
OE1
|
L:GLU129
|
2.6
|
199.2
|
1.0
|
OE2
|
L:GLU14
|
2.6
|
172.6
|
1.0
|
O
|
L:VAL9
|
2.6
|
204.7
|
1.0
|
CD
|
L:GLU129
|
2.8
|
196.5
|
1.0
|
CD
|
L:GLU14
|
2.9
|
173.6
|
1.0
|
H
|
L:VAL9
|
3.4
|
255.7
|
1.0
|
C
|
L:VAL9
|
3.6
|
204.6
|
1.0
|
CG
|
L:ASP8
|
3.8
|
211.6
|
1.0
|
HA
|
L:PRO10
|
3.8
|
242.3
|
1.0
|
N
|
L:VAL9
|
3.9
|
213.0
|
1.0
|
HZ
|
L:PHE110
|
4.0
|
204.7
|
1.0
|
HG2
|
L:GLU129
|
4.0
|
228.6
|
1.0
|
CG
|
L:GLU129
|
4.1
|
190.4
|
1.0
|
H
|
L:PHE11
|
4.1
|
235.6
|
1.0
|
HA
|
L:ASP8
|
4.2
|
252.9
|
1.0
|
CG
|
L:GLU14
|
4.4
|
175.6
|
1.0
|
OD2
|
L:ASP8
|
4.4
|
212.5
|
1.0
|
CA
|
L:VAL9
|
4.4
|
206.3
|
1.0
|
N
|
L:PRO10
|
4.5
|
202.9
|
1.0
|
CA
|
L:PRO10
|
4.5
|
201.8
|
1.0
|
HD2
|
L:PHE11
|
4.6
|
194.9
|
1.0
|
HG3
|
L:GLU129
|
4.6
|
228.6
|
1.0
|
C
|
L:ASP8
|
4.6
|
215.0
|
1.0
|
HG2
|
L:GLU14
|
4.6
|
210.8
|
1.0
|
HB
|
L:VAL9
|
4.7
|
241.5
|
1.0
|
CA
|
L:ASP8
|
4.8
|
210.7
|
1.0
|
HE1
|
L:PHE110
|
4.8
|
205.6
|
1.0
|
CZ
|
L:PHE110
|
4.8
|
170.5
|
1.0
|
HB3
|
L:GLU129
|
4.8
|
219.8
|
1.0
|
CB
|
L:ASP8
|
4.9
|
210.2
|
1.0
|
HB3
|
L:GLU14
|
4.9
|
213.5
|
1.0
|
N
|
L:PHE11
|
4.9
|
196.3
|
1.0
|
HG3
|
L:GLU14
|
4.9
|
210.8
|
1.0
|
|
Strontium binding site 6 out
of 6 in 7tce
Go back to
Strontium Binding Sites List in 7tce
Strontium binding site 6 out
of 6 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 6 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Sr1002
b:434.8
occ:1.00
|
OE1
|
P:GLU14
|
2.5
|
240.4
|
1.0
|
OD1
|
P:ASP8
|
2.5
|
234.8
|
1.0
|
OE2
|
P:GLU129
|
2.6
|
234.8
|
1.0
|
OE1
|
P:GLU129
|
2.6
|
235.4
|
1.0
|
OE2
|
P:GLU14
|
2.6
|
240.0
|
1.0
|
O
|
P:VAL9
|
2.6
|
242.6
|
1.0
|
CD
|
P:GLU129
|
2.8
|
233.6
|
1.0
|
CD
|
P:GLU14
|
2.9
|
240.7
|
1.0
|
H
|
P:VAL9
|
3.5
|
299.7
|
1.0
|
C
|
P:VAL9
|
3.6
|
241.1
|
1.0
|
CG
|
P:ASP8
|
3.7
|
235.3
|
1.0
|
HZ
|
P:PHE110
|
3.8
|
226.4
|
1.0
|
HA
|
P:PRO10
|
3.9
|
278.7
|
1.0
|
N
|
P:VAL9
|
3.9
|
249.7
|
1.0
|
H
|
P:PHE11
|
4.0
|
284.5
|
1.0
|
CG
|
P:GLU129
|
4.2
|
227.4
|
1.0
|
HG2
|
P:GLU129
|
4.2
|
273.0
|
1.0
|
HA
|
P:ASP8
|
4.3
|
290.5
|
1.0
|
HD2
|
P:PHE11
|
4.3
|
283.8
|
1.0
|
OD2
|
P:ASP8
|
4.3
|
234.6
|
1.0
|
CG
|
P:GLU14
|
4.4
|
241.5
|
1.0
|
CA
|
P:VAL9
|
4.4
|
245.8
|
1.0
|
N
|
P:PRO10
|
4.5
|
234.9
|
1.0
|
HE2
|
P:PHE110
|
4.5
|
229.3
|
1.0
|
CZ
|
P:PHE110
|
4.6
|
188.6
|
1.0
|
C
|
P:ASP8
|
4.6
|
249.1
|
1.0
|
CA
|
P:PRO10
|
4.6
|
232.2
|
1.0
|
HG3
|
P:GLU129
|
4.7
|
273.0
|
1.0
|
HG2
|
P:GLU14
|
4.7
|
289.9
|
1.0
|
O
|
P:ASN123
|
4.7
|
176.7
|
1.0
|
HB
|
P:VAL9
|
4.7
|
294.9
|
1.0
|
N
|
P:PHE11
|
4.8
|
237.0
|
1.0
|
CA
|
P:ASP8
|
4.8
|
242.0
|
1.0
|
CB
|
P:ASP8
|
4.8
|
237.7
|
1.0
|
HG3
|
P:GLU14
|
4.9
|
289.9
|
1.0
|
HB3
|
P:GLU14
|
4.9
|
289.3
|
1.0
|
HB3
|
P:GLU129
|
4.9
|
260.9
|
1.0
|
CE2
|
P:PHE110
|
4.9
|
191.0
|
1.0
|
HB2
|
P:GLU14
|
5.0
|
289.3
|
1.0
|
|
Reference:
L.Esser,
D.Xia,
F.Zhou.
Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. To Be Published.
Page generated: Fri Oct 11 07:12:38 2024
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