Phosphorus in PDB 173d: Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Protein crystallography data
The structure of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna, PDB code: 173d
was solved by
S.Kamitori,
F.Takusagawa,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
8.00 /
3.00
|
Space group
|
F 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.900,
61.410,
54.250,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.2 /
n/a
|
Phosphorus Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Phosphorus atom in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
(pdb code 173d). This binding sites where shown within
5.0 Angstroms radius around Phosphorus atom.
In total 14 binding sites of Phosphorus where determined in the
Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna, PDB code: 173d:
Jump to Phosphorus binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Phosphorus binding site 1 out
of 14 in 173d
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Phosphorus Binding Sites List in 173d
Phosphorus binding site 1 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 1 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P2
b:9.8
occ:1.00
|
P
|
A:DA2
|
0.0
|
9.8
|
1.0
|
OP2
|
A:DA2
|
1.5
|
9.8
|
1.0
|
OP1
|
A:DA2
|
1.5
|
9.8
|
1.0
|
O3'
|
A:DG1
|
1.6
|
9.5
|
1.0
|
O5'
|
A:DA2
|
1.6
|
9.8
|
1.0
|
C5'
|
A:DA2
|
2.7
|
8.1
|
1.0
|
C3'
|
A:DG1
|
2.8
|
10.9
|
1.0
|
O
|
A:HOH2021
|
3.4
|
6.0
|
1.0
|
C4'
|
A:DG1
|
3.5
|
10.9
|
1.0
|
C2'
|
A:DG1
|
3.7
|
10.9
|
1.0
|
C5'
|
A:DG1
|
3.8
|
10.9
|
1.0
|
C4'
|
A:DA2
|
3.9
|
8.1
|
1.0
|
O
|
A:HOH2023
|
4.3
|
6.0
|
1.0
|
O4'
|
A:DA2
|
4.3
|
8.1
|
1.0
|
C2'
|
A:DA2
|
4.3
|
8.1
|
1.0
|
C3'
|
A:DA2
|
4.3
|
8.1
|
1.0
|
C8
|
A:DA2
|
4.4
|
13.7
|
1.0
|
O5'
|
A:DG1
|
4.6
|
9.5
|
1.0
|
C1'
|
A:DA2
|
4.7
|
13.7
|
1.0
|
O4'
|
A:DG1
|
4.8
|
10.9
|
1.0
|
O
|
A:HOH2025
|
4.8
|
16.4
|
1.0
|
C1'
|
A:DG1
|
4.9
|
15.7
|
1.0
|
N9
|
A:DA2
|
4.9
|
13.7
|
1.0
|
|
Phosphorus binding site 2 out
of 14 in 173d
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Phosphorus Binding Sites List in 173d
Phosphorus binding site 2 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 2 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P3
b:13.6
occ:1.00
|
P
|
A:DA3
|
0.0
|
13.6
|
1.0
|
OP1
|
A:DA3
|
1.5
|
13.6
|
1.0
|
OP2
|
A:DA3
|
1.5
|
13.6
|
1.0
|
O5'
|
A:DA3
|
1.6
|
13.6
|
1.0
|
O3'
|
A:DA2
|
1.6
|
9.8
|
1.0
|
C5'
|
A:DA3
|
2.6
|
14.1
|
1.0
|
C3'
|
A:DA2
|
2.7
|
8.1
|
1.0
|
C2'
|
A:DA2
|
3.3
|
8.1
|
1.0
|
C4'
|
A:DA3
|
4.0
|
14.1
|
1.0
|
C4'
|
A:DA2
|
4.0
|
8.1
|
1.0
|
O3'
|
A:DA3
|
4.2
|
13.6
|
1.0
|
C1'
|
A:DA2
|
4.2
|
13.7
|
1.0
|
O
|
A:HOH2028
|
4.2
|
21.7
|
1.0
|
O
|
A:HOH2029
|
4.4
|
7.8
|
1.0
|
C3'
|
A:DA3
|
4.4
|
14.1
|
1.0
|
O4'
|
A:DA3
|
4.5
|
14.1
|
1.0
|
O
|
A:HOH2026
|
4.6
|
6.0
|
1.0
|
O4'
|
A:DA2
|
4.7
|
8.1
|
1.0
|
O
|
A:HOH2021
|
4.7
|
6.0
|
1.0
|
OP2
|
A:DG4
|
4.8
|
18.3
|
1.0
|
P
|
A:DG4
|
4.9
|
18.3
|
1.0
|
|
Phosphorus binding site 3 out
of 14 in 173d
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Phosphorus Binding Sites List in 173d
Phosphorus binding site 3 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 3 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P4
b:18.3
occ:1.00
|
P
|
A:DG4
|
0.0
|
18.3
|
1.0
|
OP2
|
A:DG4
|
1.5
|
18.3
|
1.0
|
OP1
|
A:DG4
|
1.5
|
18.3
|
1.0
|
O5'
|
A:DG4
|
1.6
|
18.3
|
1.0
|
O3'
|
A:DA3
|
1.6
|
13.6
|
1.0
|
C3'
|
A:DA3
|
2.6
|
14.1
|
1.0
|
C5'
|
A:DG4
|
2.7
|
13.5
|
1.0
|
C2'
|
A:DA3
|
3.5
|
14.1
|
1.0
|
O3'
|
A:DG4
|
3.7
|
18.3
|
1.0
|
C3'
|
A:DG4
|
3.8
|
13.5
|
1.0
|
C4'
|
A:DA3
|
3.8
|
14.1
|
1.0
|
O5'
|
A:DA3
|
3.9
|
13.6
|
1.0
|
C4'
|
A:DG4
|
4.0
|
13.5
|
1.0
|
C8
|
A:DG4
|
4.0
|
6.0
|
1.0
|
C5'
|
A:DA3
|
4.1
|
14.1
|
1.0
|
OP2
|
A:DC5
|
4.2
|
7.6
|
1.0
|
O
|
A:HOH2028
|
4.3
|
21.7
|
1.0
|
O
|
A:HOH2031
|
4.4
|
7.0
|
1.0
|
P
|
A:DC5
|
4.4
|
7.6
|
1.0
|
O
|
A:HOH2029
|
4.4
|
7.8
|
1.0
|
O4'
|
A:DA3
|
4.5
|
14.1
|
1.0
|
O4'
|
A:DG4
|
4.7
|
13.5
|
1.0
|
OP1
|
A:DA3
|
4.7
|
13.6
|
1.0
|
C1'
|
A:DA3
|
4.7
|
6.0
|
1.0
|
N9
|
A:DG4
|
4.7
|
6.0
|
1.0
|
N7
|
A:DG4
|
4.7
|
6.0
|
1.0
|
OP1
|
A:DC5
|
4.9
|
7.6
|
1.0
|
P
|
A:DA3
|
4.9
|
13.6
|
1.0
|
O
|
A:HOH2034
|
4.9
|
6.0
|
1.0
|
C1'
|
A:DG4
|
4.9
|
6.0
|
1.0
|
O
|
A:HOH2033
|
5.0
|
18.9
|
1.0
|
|
Phosphorus binding site 4 out
of 14 in 173d
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Phosphorus Binding Sites List in 173d
Phosphorus binding site 4 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 4 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P5
b:7.6
occ:1.00
|
P
|
A:DC5
|
0.0
|
7.6
|
1.0
|
OP2
|
A:DC5
|
1.5
|
7.6
|
1.0
|
OP1
|
A:DC5
|
1.5
|
7.6
|
1.0
|
O3'
|
A:DG4
|
1.6
|
18.3
|
1.0
|
O5'
|
A:DC5
|
1.7
|
7.6
|
1.0
|
C5'
|
A:DC5
|
2.8
|
34.3
|
1.0
|
C3'
|
A:DG4
|
2.9
|
13.5
|
1.0
|
C2'
|
A:DG4
|
3.3
|
13.5
|
1.0
|
O3
|
C:PXZ6
|
3.6
|
6.0
|
0.5
|
N2
|
C:PXZ6
|
3.9
|
6.0
|
0.5
|
O5'
|
A:DG4
|
3.9
|
18.3
|
1.0
|
O
|
A:HOH2031
|
3.9
|
7.0
|
1.0
|
O
|
A:HOH2033
|
4.0
|
18.9
|
1.0
|
O
|
A:HOH2034
|
4.0
|
6.0
|
1.0
|
C4'
|
A:DC5
|
4.2
|
34.3
|
1.0
|
C4'
|
A:DG4
|
4.3
|
13.5
|
1.0
|
OP1
|
A:DG4
|
4.3
|
18.3
|
1.0
|
OP2
|
A:DG4
|
4.3
|
18.3
|
1.0
|
O4'
|
A:DC5
|
4.3
|
34.3
|
1.0
|
P
|
A:DG4
|
4.4
|
18.3
|
1.0
|
C6
|
A:DC5
|
4.4
|
6.0
|
1.0
|
C1'
|
A:DG4
|
4.4
|
6.0
|
1.0
|
C3
|
C:PXZ6
|
4.4
|
6.0
|
1.0
|
C8
|
A:DG4
|
4.5
|
6.0
|
1.0
|
C5'
|
A:DG4
|
4.5
|
13.5
|
1.0
|
C2
|
C:PXZ6
|
4.6
|
6.0
|
1.0
|
N9
|
A:DG4
|
4.8
|
6.0
|
1.0
|
C2'
|
A:DC5
|
4.9
|
34.3
|
1.0
|
C1'
|
A:DC5
|
4.9
|
6.0
|
1.0
|
N1
|
A:DC5
|
4.9
|
6.0
|
1.0
|
|
Phosphorus binding site 5 out
of 14 in 173d
Go back to
Phosphorus Binding Sites List in 173d
Phosphorus binding site 5 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 5 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P6
b:9.8
occ:1.00
|
P
|
A:DT6
|
0.0
|
9.8
|
1.0
|
OP2
|
A:DT6
|
1.5
|
9.8
|
1.0
|
OP1
|
A:DT6
|
1.5
|
9.8
|
1.0
|
O5'
|
A:DT6
|
1.6
|
9.8
|
1.0
|
O3'
|
A:DC5
|
1.6
|
7.6
|
1.0
|
C5'
|
A:DT6
|
2.6
|
7.0
|
1.0
|
C3'
|
A:DC5
|
2.7
|
34.3
|
1.0
|
C6
|
A:DT6
|
3.7
|
6.0
|
1.0
|
O
|
A:HOH2037
|
3.7
|
6.0
|
1.0
|
C7
|
A:DT6
|
3.7
|
6.0
|
1.0
|
O
|
A:HOH2035
|
3.7
|
6.0
|
1.0
|
C4'
|
A:DC5
|
3.8
|
34.3
|
1.0
|
C2'
|
A:DC5
|
4.0
|
34.3
|
1.0
|
C5
|
A:DT6
|
4.0
|
6.0
|
1.0
|
C4'
|
A:DT6
|
4.0
|
7.0
|
1.0
|
O
|
A:HOH2014
|
4.3
|
7.1
|
1.0
|
O4'
|
A:DC5
|
4.4
|
34.3
|
1.0
|
O
|
A:HOH2010
|
4.4
|
13.2
|
1.0
|
O
|
A:HOH2036
|
4.5
|
6.0
|
1.0
|
C1'
|
A:DC5
|
4.5
|
6.0
|
1.0
|
N1
|
A:DT6
|
4.5
|
6.0
|
1.0
|
C3'
|
A:DT6
|
4.6
|
7.0
|
1.0
|
C2'
|
A:DT6
|
4.7
|
7.0
|
1.0
|
O4'
|
A:DT6
|
4.7
|
7.0
|
1.0
|
C1'
|
A:DT6
|
4.9
|
6.0
|
1.0
|
O
|
A:HOH2009
|
4.9
|
6.3
|
1.0
|
|
Phosphorus binding site 6 out
of 14 in 173d
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Phosphorus Binding Sites List in 173d
Phosphorus binding site 6 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 6 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P7
b:16.1
occ:1.00
|
P
|
A:DT7
|
0.0
|
16.1
|
1.0
|
OP2
|
A:DT7
|
1.5
|
16.1
|
1.0
|
OP1
|
A:DT7
|
1.5
|
16.1
|
1.0
|
O5'
|
A:DT7
|
1.6
|
16.1
|
1.0
|
O3'
|
A:DT6
|
1.6
|
9.8
|
1.0
|
C5'
|
A:DT7
|
2.6
|
10.4
|
1.0
|
C3'
|
A:DT6
|
2.7
|
7.0
|
1.0
|
C2'
|
A:DT6
|
3.1
|
7.0
|
1.0
|
O
|
A:HOH2040
|
3.5
|
14.0
|
1.0
|
C1'
|
A:DT6
|
3.9
|
6.0
|
1.0
|
C4'
|
A:DT6
|
3.9
|
7.0
|
1.0
|
C4'
|
A:DT7
|
4.0
|
10.4
|
1.0
|
O4'
|
A:DT6
|
4.0
|
7.0
|
1.0
|
C3'
|
A:DT7
|
4.1
|
10.4
|
1.0
|
O
|
A:HOH2044
|
4.2
|
6.0
|
1.0
|
C2'
|
A:DT7
|
4.6
|
10.4
|
1.0
|
O4'
|
A:DT7
|
4.8
|
10.4
|
1.0
|
O
|
A:HOH2043
|
4.8
|
6.0
|
1.0
|
|
Phosphorus binding site 7 out
of 14 in 173d
Go back to
Phosphorus Binding Sites List in 173d
Phosphorus binding site 7 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 7 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P8
b:11.0
occ:1.00
|
P
|
A:DC8
|
0.0
|
11.0
|
1.0
|
OP1
|
A:DC8
|
1.5
|
11.0
|
1.0
|
OP2
|
A:DC8
|
1.5
|
11.0
|
1.0
|
O5'
|
A:DC8
|
1.6
|
11.0
|
1.0
|
O3'
|
A:DT7
|
1.6
|
16.1
|
1.0
|
C3'
|
A:DT7
|
2.6
|
10.4
|
1.0
|
C5'
|
A:DC8
|
2.6
|
9.1
|
1.0
|
O4'
|
A:DC8
|
3.2
|
9.1
|
1.0
|
C2'
|
A:DT7
|
3.6
|
10.4
|
1.0
|
C4'
|
A:DC8
|
3.7
|
9.1
|
1.0
|
O
|
A:HOH2044
|
3.7
|
6.0
|
1.0
|
O
|
A:HOH2043
|
3.8
|
6.0
|
1.0
|
C4'
|
A:DT7
|
3.8
|
10.4
|
1.0
|
C6
|
A:DC8
|
3.8
|
6.0
|
1.0
|
C1'
|
A:DC8
|
4.0
|
6.0
|
1.0
|
C2'
|
A:DC8
|
4.2
|
9.1
|
1.0
|
C1'
|
A:DT7
|
4.3
|
6.0
|
1.0
|
N1
|
A:DC8
|
4.4
|
6.0
|
1.0
|
C3'
|
A:DC8
|
4.5
|
9.1
|
1.0
|
C5'
|
A:DT7
|
4.6
|
10.4
|
1.0
|
O5'
|
A:DT7
|
4.6
|
16.1
|
1.0
|
O4'
|
A:DT7
|
4.7
|
10.4
|
1.0
|
C5
|
A:DC8
|
4.9
|
6.0
|
1.0
|
|
Phosphorus binding site 8 out
of 14 in 173d
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Phosphorus Binding Sites List in 173d
Phosphorus binding site 8 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 8 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:P10
b:24.8
occ:1.00
|
P
|
B:DA10
|
0.0
|
24.8
|
1.0
|
OP2
|
B:DA10
|
1.5
|
24.8
|
1.0
|
OP1
|
B:DA10
|
1.5
|
24.8
|
1.0
|
O5'
|
B:DA10
|
1.6
|
24.8
|
1.0
|
O3'
|
B:DG9
|
1.7
|
16.0
|
1.0
|
C5'
|
B:DA10
|
2.7
|
6.0
|
1.0
|
C3'
|
B:DG9
|
2.8
|
23.1
|
1.0
|
O4'
|
B:DA10
|
3.2
|
6.0
|
1.0
|
C4'
|
B:DA10
|
3.7
|
6.0
|
1.0
|
C4'
|
B:DG9
|
3.8
|
23.1
|
1.0
|
C8
|
B:DA10
|
3.8
|
18.6
|
1.0
|
O5'
|
B:DG9
|
3.9
|
16.0
|
1.0
|
O
|
B:HOH2016
|
3.9
|
6.0
|
1.0
|
C3'
|
B:DA10
|
4.0
|
6.0
|
1.0
|
C2'
|
B:DG9
|
4.1
|
23.1
|
1.0
|
C1'
|
B:DA10
|
4.3
|
18.6
|
1.0
|
N9
|
B:DA10
|
4.4
|
18.6
|
1.0
|
C5'
|
B:DG9
|
4.4
|
23.1
|
1.0
|
C2'
|
B:DA10
|
4.6
|
6.0
|
1.0
|
O
|
B:HOH2001
|
4.6
|
6.0
|
1.0
|
N7
|
B:DA10
|
4.9
|
18.6
|
1.0
|
O3'
|
B:DA10
|
4.9
|
24.8
|
1.0
|
C1'
|
B:DG9
|
4.9
|
9.8
|
1.0
|
O4'
|
B:DG9
|
5.0
|
23.1
|
1.0
|
|
Phosphorus binding site 9 out
of 14 in 173d
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Phosphorus Binding Sites List in 173d
Phosphorus binding site 9 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 9 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:P11
b:20.5
occ:1.00
|
P
|
B:DA11
|
0.0
|
20.5
|
1.0
|
OP1
|
B:DA11
|
1.5
|
20.5
|
1.0
|
OP2
|
B:DA11
|
1.5
|
20.5
|
1.0
|
O5'
|
B:DA11
|
1.6
|
20.5
|
1.0
|
O3'
|
B:DA10
|
1.6
|
24.8
|
1.0
|
C5'
|
B:DA11
|
2.7
|
14.0
|
1.0
|
C3'
|
B:DA10
|
2.7
|
6.0
|
1.0
|
C2'
|
B:DA10
|
3.3
|
6.0
|
1.0
|
O
|
B:HOH2020
|
3.9
|
6.0
|
1.0
|
O3'
|
B:DA11
|
3.9
|
20.5
|
1.0
|
C4'
|
B:DA11
|
3.9
|
14.0
|
1.0
|
C4'
|
B:DA10
|
4.1
|
6.0
|
1.0
|
C3'
|
B:DA11
|
4.1
|
14.0
|
1.0
|
O5'
|
B:DA10
|
4.4
|
24.8
|
1.0
|
O4'
|
B:DA11
|
4.4
|
14.0
|
1.0
|
O
|
B:HOH2021
|
4.5
|
6.0
|
1.0
|
C5'
|
B:DA10
|
4.6
|
6.0
|
1.0
|
O
|
B:HOH2008
|
4.7
|
6.0
|
1.0
|
C1'
|
B:DA10
|
4.7
|
18.6
|
1.0
|
O4'
|
B:DA10
|
4.9
|
6.0
|
1.0
|
O
|
B:HOH2019
|
4.9
|
14.4
|
1.0
|
|
Phosphorus binding site 10 out
of 14 in 173d
Go back to
Phosphorus Binding Sites List in 173d
Phosphorus binding site 10 out
of 14 in the Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 10 of Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2- Actinomycin D Complexes and Its Host Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:P12
b:8.8
occ:1.00
|
P
|
B:DG12
|
0.0
|
8.8
|
1.0
|
OP2
|
B:DG12
|
1.5
|
8.8
|
1.0
|
OP1
|
B:DG12
|
1.5
|
8.8
|
1.0
|
O5'
|
B:DG12
|
1.6
|
8.8
|
1.0
|
O3'
|
B:DA11
|
1.7
|
20.5
|
1.0
|
C5'
|
B:DG12
|
2.6
|
6.0
|
1.0
|
C3'
|
B:DA11
|
2.9
|
14.0
|
1.0
|
C8
|
B:DG12
|
3.4
|
23.9
|
1.0
|
C2'
|
B:DA11
|
3.6
|
14.0
|
1.0
|
N7
|
B:DG12
|
3.8
|
23.9
|
1.0
|
C4'
|
B:DG12
|
3.8
|
6.0
|
1.0
|
O4'
|
B:DG12
|
4.0
|
6.0
|
1.0
|
O5'
|
B:DA11
|
4.2
|
20.5
|
1.0
|
C8
|
B:DA11
|
4.3
|
10.5
|
1.0
|
C4'
|
B:DA11
|
4.3
|
14.0
|
1.0
|
C3'
|
B:DG12
|
4.4
|
6.0
|
1.0
|
N9
|
B:DG12
|
4.5
|
23.9
|
1.0
|
N9
|
B:DA11
|
4.6
|
10.5
|
1.0
|
OP2
|
B:DA11
|
4.7
|
20.5
|
1.0
|
O
|
B:HOH2018
|
4.7
|
6.0
|
1.0
|
C1'
|
B:DA11
|
4.7
|
10.5
|
1.0
|
C1'
|
B:DG12
|
4.8
|
23.9
|
1.0
|
C5'
|
B:DA11
|
4.8
|
14.0
|
1.0
|
O4'
|
B:DA11
|
4.9
|
14.0
|
1.0
|
|
Reference:
S.Kamitori,
F.Takusagawa.
Multiple Binding Modes of Anticancer Drug Actinomycin D: X-Ray, Molecular Modeling, and Spectroscopic Studies of D(Gaagcttc)2-Actinomycin D Complexes and Its Host Dna J.Am.Chem.Soc. V. 116 4154 1994.
ISSN: ISSN 0002-7863
DOI: 10.1021/JA00089A002
Page generated: Fri Sep 25 11:42:12 2020
|