Chlorine 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:
Chlorine Binding Sites:
The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone., PDB code: 7tce:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 7tce
Go back to
Chlorine Binding Sites List in 7tce
Chlorine binding site 1 out
of 4 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 Chlorine with other atoms in the Cl 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:Cl1003
b:171.8
occ:1.00
|
CL
|
A:AOQ1003
|
0.0
|
171.8
|
1.0
|
C20
|
A:AOQ1003
|
1.8
|
167.9
|
1.0
|
C19
|
A:AOQ1003
|
2.8
|
166.2
|
1.0
|
C21
|
A:AOQ1003
|
2.8
|
165.5
|
1.0
|
H18
|
A:AOQ1003
|
2.8
|
198.7
|
1.0
|
H17
|
A:AOQ1003
|
2.8
|
199.6
|
1.0
|
HD11
|
A:ILE340
|
3.0
|
169.4
|
1.0
|
HD22
|
A:LEU137
|
3.2
|
180.9
|
1.0
|
HG3
|
A:MET140
|
3.3
|
213.8
|
1.0
|
HG12
|
A:ILE340
|
3.4
|
169.5
|
1.0
|
HD23
|
A:LEU137
|
3.4
|
180.9
|
1.0
|
CD2
|
A:LEU137
|
3.7
|
150.7
|
1.0
|
HE2
|
A:TYR136
|
3.7
|
182.7
|
1.0
|
HB2
|
A:MET140
|
3.7
|
203.7
|
1.0
|
CD1
|
A:ILE340
|
3.8
|
141.1
|
1.0
|
HD21
|
A:LEU137
|
3.9
|
180.9
|
1.0
|
HD1
|
A:PHE337
|
3.9
|
141.8
|
1.0
|
HB3
|
A:MET140
|
4.0
|
203.7
|
1.0
|
HE1
|
A:PHE337
|
4.0
|
136.8
|
1.0
|
HD13
|
A:ILE340
|
4.0
|
169.4
|
1.0
|
C18
|
A:AOQ1003
|
4.0
|
164.0
|
1.0
|
C22
|
A:AOQ1003
|
4.1
|
163.2
|
1.0
|
CG1
|
A:ILE340
|
4.1
|
141.2
|
1.0
|
CB
|
A:MET140
|
4.2
|
169.6
|
1.0
|
CG
|
A:MET140
|
4.2
|
178.1
|
1.0
|
HA
|
A:LEU137
|
4.2
|
166.7
|
1.0
|
HE2
|
A:MET140
|
4.2
|
221.5
|
1.0
|
CE2
|
A:TYR136
|
4.5
|
152.1
|
1.0
|
HD2
|
A:TYR136
|
4.5
|
178.1
|
1.0
|
HE3
|
A:MET140
|
4.5
|
221.5
|
1.0
|
HD12
|
A:ILE340
|
4.5
|
169.4
|
1.0
|
CD1
|
A:PHE337
|
4.6
|
118.1
|
1.0
|
CE1
|
A:PHE337
|
4.6
|
113.9
|
1.0
|
C17
|
A:AOQ1003
|
4.6
|
161.7
|
1.0
|
HB
|
A:ILE340
|
4.7
|
168.0
|
1.0
|
H16
|
A:AOQ1003
|
4.8
|
196.9
|
1.0
|
HG2
|
A:MET140
|
4.8
|
213.8
|
1.0
|
CE
|
A:MET140
|
4.8
|
184.5
|
1.0
|
HG13
|
A:ILE340
|
4.8
|
169.5
|
1.0
|
H19
|
A:AOQ1003
|
4.8
|
195.9
|
1.0
|
HE3
|
A:MET336
|
4.8
|
192.3
|
1.0
|
CD2
|
A:TYR136
|
4.9
|
148.3
|
1.0
|
HA
|
A:PHE337
|
4.9
|
165.8
|
1.0
|
CB
|
A:ILE340
|
5.0
|
139.9
|
1.0
|
CZ
|
A:PHE301
|
5.0
|
146.0
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 7tce
Go back to
Chlorine Binding Sites List in 7tce
Chlorine binding site 2 out
of 4 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 Chlorine with other atoms in the Cl 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
|
E:Cl1003
b:185.9
occ:1.00
|
CL
|
E:AOQ1003
|
0.0
|
185.9
|
1.0
|
C20
|
E:AOQ1003
|
1.8
|
179.2
|
1.0
|
C21
|
E:AOQ1003
|
2.8
|
175.0
|
1.0
|
C19
|
E:AOQ1003
|
2.8
|
175.5
|
1.0
|
H18
|
E:AOQ1003
|
2.8
|
210.1
|
1.0
|
H17
|
E:AOQ1003
|
2.8
|
210.7
|
1.0
|
HD1
|
E:PHE337
|
3.0
|
188.4
|
1.0
|
HD22
|
E:LEU137
|
3.3
|
191.4
|
1.0
|
HE1
|
E:PHE337
|
3.4
|
188.3
|
1.0
|
HD13
|
E:ILE340
|
3.6
|
186.3
|
1.0
|
HG12
|
E:ILE340
|
3.6
|
189.2
|
1.0
|
CD1
|
E:PHE337
|
3.7
|
156.9
|
1.0
|
HD23
|
E:LEU137
|
3.8
|
191.4
|
1.0
|
HD11
|
E:ILE340
|
3.8
|
186.3
|
1.0
|
HD21
|
E:LEU137
|
3.8
|
191.4
|
1.0
|
CD2
|
E:LEU137
|
3.8
|
159.5
|
1.0
|
CE1
|
E:PHE337
|
4.0
|
156.9
|
1.0
|
CD1
|
E:ILE340
|
4.0
|
155.1
|
1.0
|
C22
|
E:AOQ1003
|
4.0
|
169.4
|
1.0
|
C18
|
E:AOQ1003
|
4.1
|
170.2
|
1.0
|
HA
|
E:PHE337
|
4.1
|
194.0
|
1.0
|
HE3
|
E:MET336
|
4.2
|
215.1
|
1.0
|
CG1
|
E:ILE340
|
4.3
|
157.6
|
1.0
|
HG3
|
E:MET140
|
4.6
|
196.7
|
1.0
|
HB
|
E:ILE340
|
4.6
|
192.4
|
1.0
|
C17
|
E:AOQ1003
|
4.6
|
162.7
|
1.0
|
HB2
|
E:MET140
|
4.6
|
191.5
|
1.0
|
HB3
|
E:MET140
|
4.7
|
191.5
|
1.0
|
H19
|
E:AOQ1003
|
4.8
|
203.4
|
1.0
|
HE2
|
E:MET140
|
4.8
|
203.0
|
1.0
|
HA
|
E:LEU137
|
4.8
|
175.2
|
1.0
|
H16
|
E:AOQ1003
|
4.8
|
204.4
|
1.0
|
HD12
|
E:ILE340
|
5.0
|
186.3
|
1.0
|
CG
|
E:PHE337
|
5.0
|
159.1
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 7tce
Go back to
Chlorine Binding Sites List in 7tce
Chlorine binding site 3 out
of 4 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 Chlorine with other atoms in the Cl 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
|
K:Cl1003
b:183.2
occ:1.00
|
CL
|
K:AOQ1003
|
0.0
|
183.2
|
1.0
|
C20
|
K:AOQ1003
|
1.8
|
177.4
|
1.0
|
HD1
|
K:PHE337
|
2.7
|
154.6
|
1.0
|
C21
|
K:AOQ1003
|
2.8
|
173.6
|
1.0
|
C19
|
K:AOQ1003
|
2.8
|
174.5
|
1.0
|
H18
|
K:AOQ1003
|
2.8
|
208.4
|
1.0
|
H17
|
K:AOQ1003
|
2.8
|
209.5
|
1.0
|
HE1
|
K:PHE337
|
3.1
|
150.6
|
1.0
|
CD1
|
K:PHE337
|
3.5
|
128.7
|
1.0
|
HD22
|
K:LEU137
|
3.5
|
165.6
|
1.0
|
CE1
|
K:PHE337
|
3.6
|
125.4
|
1.0
|
HD13
|
K:ILE340
|
3.7
|
153.1
|
1.0
|
HG12
|
K:ILE340
|
3.7
|
155.5
|
1.0
|
HD11
|
K:ILE340
|
3.9
|
153.1
|
1.0
|
HA
|
K:PHE337
|
4.0
|
170.4
|
1.0
|
HE3
|
K:MET336
|
4.0
|
202.2
|
1.0
|
HD23
|
K:LEU137
|
4.0
|
165.6
|
1.0
|
C22
|
K:AOQ1003
|
4.0
|
169.3
|
1.0
|
C18
|
K:AOQ1003
|
4.1
|
172.1
|
1.0
|
HD21
|
K:LEU137
|
4.1
|
165.6
|
1.0
|
CD2
|
K:LEU137
|
4.1
|
137.9
|
1.0
|
CD1
|
K:ILE340
|
4.1
|
127.5
|
1.0
|
HG3
|
K:MET140
|
4.3
|
164.3
|
1.0
|
HE2
|
K:MET140
|
4.4
|
157.8
|
1.0
|
CG1
|
K:ILE340
|
4.4
|
129.5
|
1.0
|
HB2
|
K:MET140
|
4.5
|
167.7
|
1.0
|
HB3
|
K:MET140
|
4.6
|
167.7
|
1.0
|
C17
|
K:AOQ1003
|
4.6
|
167.7
|
1.0
|
HB
|
K:ILE340
|
4.6
|
156.8
|
1.0
|
CG
|
K:PHE337
|
4.7
|
133.4
|
1.0
|
H19
|
K:AOQ1003
|
4.8
|
203.3
|
1.0
|
H16
|
K:AOQ1003
|
4.8
|
206.6
|
1.0
|
HE1
|
K:MET336
|
4.8
|
202.2
|
1.0
|
CE
|
K:MET336
|
4.8
|
168.4
|
1.0
|
HA
|
K:LEU137
|
4.9
|
167.2
|
1.0
|
CA
|
K:PHE337
|
4.9
|
141.9
|
1.0
|
CB
|
K:MET140
|
4.9
|
139.7
|
1.0
|
HG2
|
K:MET336
|
5.0
|
194.9
|
1.0
|
CZ
|
K:PHE337
|
5.0
|
125.8
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 7tce
Go back to
Chlorine Binding Sites List in 7tce
Chlorine binding site 4 out
of 4 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 Chlorine with other atoms in the Cl 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
|
O:Cl1003
b:197.8
occ:1.00
|
CL
|
O:AOQ1003
|
0.0
|
197.8
|
1.0
|
C20
|
O:AOQ1003
|
1.8
|
193.6
|
1.0
|
C21
|
O:AOQ1003
|
2.8
|
191.2
|
1.0
|
C19
|
O:AOQ1003
|
2.8
|
190.5
|
1.0
|
H18
|
O:AOQ1003
|
2.8
|
229.5
|
1.0
|
H17
|
O:AOQ1003
|
2.8
|
228.7
|
1.0
|
HD22
|
O:LEU137
|
2.9
|
145.5
|
1.0
|
HE1
|
O:PHE337
|
2.9
|
168.7
|
1.0
|
HD1
|
O:PHE337
|
3.4
|
171.2
|
1.0
|
HD21
|
O:LEU137
|
3.4
|
145.5
|
1.0
|
CD2
|
O:LEU137
|
3.6
|
121.2
|
1.0
|
CE1
|
O:PHE337
|
3.7
|
140.5
|
1.0
|
CD1
|
O:PHE337
|
3.9
|
142.6
|
1.0
|
C22
|
O:AOQ1003
|
4.0
|
188.2
|
1.0
|
C18
|
O:AOQ1003
|
4.0
|
187.5
|
1.0
|
HD13
|
O:LEU137
|
4.1
|
144.5
|
1.0
|
HD23
|
O:LEU137
|
4.2
|
145.5
|
1.0
|
HB3
|
O:LEU137
|
4.3
|
145.7
|
1.0
|
HA
|
O:LEU137
|
4.6
|
151.0
|
1.0
|
CG
|
O:LEU137
|
4.6
|
120.4
|
1.0
|
C17
|
O:AOQ1003
|
4.6
|
185.2
|
1.0
|
HE3
|
O:MET336
|
4.7
|
199.9
|
1.0
|
CD1
|
O:LEU137
|
4.7
|
120.3
|
1.0
|
H19
|
O:AOQ1003
|
4.8
|
225.9
|
1.0
|
HG12
|
O:ILE340
|
4.8
|
185.7
|
1.0
|
H16
|
O:AOQ1003
|
4.8
|
225.1
|
1.0
|
CZ
|
O:PHE337
|
4.9
|
140.2
|
1.0
|
CB
|
O:LEU137
|
4.9
|
121.4
|
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: Tue Jul 30 04:33:05 2024
|