Chlorine in PDB 1idw: Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++
Protein crystallography data
The structure of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++, PDB code: 1idw
was solved by
W.Cruse,
P.Saludjian,
A.Neuman,
T.Prange,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
6.00 /
1.80
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.820,
19.380,
50.300,
90.00,
109.90,
90.00
|
R / Rfree (%)
|
17.2 /
20.2
|
Other elements in 1idw:
The structure of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++ also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++
(pdb code 1idw). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++, PDB code: 1idw:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 1idw
Go back to
Chlorine Binding Sites List in 1idw
Chlorine binding site 1 out
of 6 in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl9
b:20.2
occ:1.00
|
CL
|
A:UCL9
|
0.0
|
20.2
|
1.0
|
C5
|
A:UCL9
|
1.8
|
23.1
|
1.0
|
C4
|
A:UCL9
|
2.7
|
25.6
|
1.0
|
C6
|
A:UCL9
|
2.7
|
12.6
|
1.0
|
O4
|
A:UCL9
|
2.9
|
21.2
|
1.0
|
O1P
|
A:UCL9
|
3.8
|
8.2
|
1.0
|
O
|
A:HOH102
|
3.9
|
35.8
|
1.0
|
N3
|
A:UCL9
|
4.0
|
21.4
|
1.0
|
N1
|
A:UCL9
|
4.0
|
16.4
|
1.0
|
O2P
|
A:UCL9
|
4.3
|
11.7
|
1.0
|
C2
|
A:UCL9
|
4.5
|
19.6
|
1.0
|
P
|
A:UCL9
|
4.6
|
16.7
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 1idw
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Chlorine Binding Sites List in 1idw
Chlorine binding site 2 out
of 6 in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl9
b:40.0
occ:0.50
|
CL
|
B:UCL9
|
0.0
|
40.0
|
0.5
|
O4
|
B:UCL9
|
1.0
|
40.0
|
0.5
|
C4
|
B:UCL9
|
1.1
|
40.0
|
0.5
|
C5
|
B:UCL9
|
1.8
|
40.0
|
0.5
|
C5
|
B:UCL9
|
1.8
|
40.0
|
0.5
|
N3
|
B:UCL9
|
2.3
|
40.0
|
0.5
|
CL
|
B:UCL9
|
2.3
|
40.0
|
0.5
|
C4
|
B:UCL9
|
2.6
|
40.0
|
0.5
|
O4
|
B:UCL9
|
2.8
|
40.0
|
0.5
|
C6
|
B:UCL9
|
2.8
|
40.0
|
0.5
|
C6
|
B:UCL9
|
3.0
|
40.0
|
0.5
|
C3'
|
B:C8
|
3.1
|
59.5
|
1.0
|
C2
|
B:UCL9
|
3.3
|
40.0
|
0.5
|
C2'
|
B:C8
|
3.4
|
63.0
|
1.0
|
N1
|
B:UCL9
|
3.6
|
40.0
|
0.5
|
N1
|
B:C8
|
3.9
|
36.9
|
1.0
|
N3
|
B:UCL9
|
3.9
|
40.0
|
0.5
|
C2
|
B:C8
|
3.9
|
36.6
|
1.0
|
O3'
|
B:C8
|
4.0
|
64.5
|
1.0
|
N1
|
B:UCL9
|
4.0
|
40.0
|
0.5
|
C6
|
B:C8
|
4.1
|
31.2
|
1.0
|
C4'
|
B:C8
|
4.2
|
49.7
|
1.0
|
N3
|
B:C8
|
4.3
|
40.4
|
1.0
|
O2'
|
B:C8
|
4.3
|
63.7
|
1.0
|
C1'
|
B:C8
|
4.3
|
49.6
|
1.0
|
O2
|
B:C8
|
4.3
|
50.8
|
1.0
|
O2
|
B:UCL9
|
4.4
|
40.0
|
0.5
|
C5
|
B:C8
|
4.4
|
28.4
|
1.0
|
C5'
|
B:C8
|
4.5
|
44.1
|
1.0
|
C4
|
B:C8
|
4.5
|
24.8
|
1.0
|
C2
|
B:UCL9
|
4.5
|
40.0
|
0.5
|
O4'
|
B:C8
|
4.7
|
45.3
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 1idw
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Chlorine Binding Sites List in 1idw
Chlorine binding site 3 out
of 6 in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl9
b:40.0
occ:0.50
|
CL
|
B:UCL9
|
0.0
|
40.0
|
0.5
|
C5
|
B:UCL9
|
1.8
|
40.0
|
0.5
|
CL
|
B:UCL9
|
2.3
|
40.0
|
0.5
|
C4
|
B:UCL9
|
2.6
|
40.0
|
0.5
|
O4
|
B:UCL9
|
2.8
|
40.0
|
0.5
|
C6
|
B:UCL9
|
2.8
|
40.0
|
0.5
|
C5'
|
B:C8
|
3.3
|
44.1
|
1.0
|
C3'
|
B:C8
|
3.3
|
59.5
|
1.0
|
C5
|
B:UCL9
|
3.4
|
40.0
|
0.5
|
C6
|
B:UCL9
|
3.6
|
40.0
|
0.5
|
C4'
|
B:C8
|
3.8
|
49.7
|
1.0
|
N3
|
B:UCL9
|
3.9
|
40.0
|
0.5
|
N1
|
B:UCL9
|
4.0
|
40.0
|
0.5
|
O3'
|
B:C8
|
4.2
|
64.5
|
1.0
|
C6
|
B:C8
|
4.3
|
31.2
|
1.0
|
C2'
|
B:C8
|
4.4
|
63.0
|
1.0
|
C2
|
B:UCL9
|
4.5
|
40.0
|
0.5
|
C5
|
B:C8
|
4.6
|
28.4
|
1.0
|
O5'
|
B:C8
|
4.6
|
35.2
|
1.0
|
N1
|
B:C8
|
4.6
|
36.9
|
1.0
|
O4'
|
B:C8
|
4.6
|
45.3
|
1.0
|
C4
|
B:UCL9
|
4.7
|
40.0
|
0.5
|
OP2
|
B:C8
|
4.7
|
22.7
|
1.0
|
C1'
|
B:C8
|
4.9
|
49.6
|
1.0
|
N1
|
B:UCL9
|
5.0
|
40.0
|
0.5
|
|
Chlorine binding site 4 out
of 6 in 1idw
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Chlorine Binding Sites List in 1idw
Chlorine binding site 4 out
of 6 in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl32
b:16.9
occ:1.00
|
O4
|
A:UCL9
|
4.6
|
21.2
|
1.0
|
N3
|
A:UCL9
|
5.0
|
21.4
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 1idw
Go back to
Chlorine Binding Sites List in 1idw
Chlorine binding site 5 out
of 6 in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl31
b:14.4
occ:0.75
|
CL
|
B:CL31
|
0.0
|
14.4
|
0.8
|
CL
|
B:CL31
|
1.3
|
14.2
|
0.2
|
N7
|
B:G6
|
3.9
|
13.0
|
1.0
|
O
|
B:HOH116
|
4.3
|
17.0
|
1.0
|
O6
|
B:G6
|
4.4
|
14.4
|
1.0
|
O6
|
B:G7
|
4.6
|
19.4
|
1.0
|
C5
|
B:G6
|
4.8
|
18.9
|
1.0
|
C8
|
B:G6
|
4.9
|
16.8
|
1.0
|
C6
|
B:G6
|
5.0
|
17.7
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 1idw
Go back to
Chlorine Binding Sites List in 1idw
Chlorine binding site 6 out
of 6 in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[Cl]U in Presence of Rh(NH3)6+++ within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl31
b:14.2
occ:0.25
|
CL
|
B:CL31
|
0.0
|
14.2
|
0.2
|
CL
|
B:CL31
|
1.3
|
14.4
|
0.8
|
O
|
B:HOH130
|
3.9
|
31.6
|
1.0
|
O
|
B:HOH116
|
4.1
|
17.0
|
1.0
|
O6
|
B:G6
|
4.2
|
14.4
|
1.0
|
N7
|
B:G6
|
4.5
|
13.0
|
1.0
|
O4
|
A:U3
|
4.6
|
16.3
|
1.0
|
O6
|
B:G7
|
4.6
|
19.4
|
1.0
|
N4
|
A:C2
|
4.7
|
16.8
|
1.0
|
|
Reference:
W.Cruse,
P.Saludjian,
A.Neuman,
T.Prange.
Destabilizing Effect of A Fluorouracil Extra Base in A Hybrid Rna Duplex Compared with Bromo and Chloro Analogues Acta Crystallogr.,Sect.D V. 57 1609 2001.
ISSN: ISSN 0907-4449
PubMed: 11679725
DOI: 10.1107/S0907444901012318
Page generated: Fri Jul 19 22:43:26 2024
|