Rubidium in PDB 6dow: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C
Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C
All present enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C:
3.1.26.4;
Protein crystallography data
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C, PDB code: 6dow
was solved by
N.L.Samara,
W.Yang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.40 /
1.50
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
82.035,
37.485,
62.504,
90.00,
96.84,
90.00
|
R / Rfree (%)
|
16.4 /
19.8
|
Other elements in 6dow:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C also contains other interesting chemical elements:
Rubidium Binding Sites:
The binding sites of Rubidium atom in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C
(pdb code 6dow). This binding sites where shown within
5.0 Angstroms radius around Rubidium atom.
In total 5 binding sites of Rubidium where determined in the
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C, PDB code: 6dow:
Jump to Rubidium binding site number:
1;
2;
3;
4;
5;
Rubidium binding site 1 out
of 5 in 6dow
Go back to
Rubidium Binding Sites List in 6dow
Rubidium binding site 1 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Rubidium with other atoms in the Rb binding
site number 1 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rb203
b:36.0
occ:0.10
|
O
|
b:HOH102
|
0.9
|
29.8
|
0.7
|
O
|
A:HOH355
|
2.5
|
42.5
|
1.0
|
RB
|
A:RB204
|
2.8
|
37.9
|
0.1
|
O
|
A:HOH328
|
2.8
|
33.7
|
0.3
|
CG
|
A:LYS196
|
3.0
|
38.8
|
0.7
|
OP2
|
b:G6
|
3.0
|
33.8
|
1.0
|
N
|
A:ARG195
|
3.0
|
42.5
|
0.8
|
N
|
A:LYS196
|
3.1
|
53.6
|
0.7
|
NZ
|
A:LYS196
|
3.1
|
46.1
|
0.7
|
OD1
|
A:ASP192
|
3.1
|
33.0
|
1.0
|
OP3
|
b:C5
|
3.4
|
44.0
|
0.7
|
OD2
|
A:ASP192
|
3.6
|
33.9
|
1.0
|
CB
|
A:LYS196
|
3.6
|
53.5
|
0.7
|
CA
|
A:ARG195
|
3.6
|
45.7
|
0.8
|
C
|
A:ARG195
|
3.7
|
54.0
|
0.8
|
N
|
A:GLY194
|
3.7
|
33.4
|
1.0
|
O
|
A:HOH312
|
3.7
|
32.0
|
1.0
|
CD
|
A:LYS196
|
3.7
|
45.6
|
0.7
|
CG
|
A:ASP192
|
3.7
|
32.5
|
1.0
|
CB
|
A:ARG195
|
3.9
|
41.2
|
0.8
|
H
|
A:TYR193
|
3.9
|
38.6
|
1.0
|
C
|
A:GLY194
|
4.0
|
56.7
|
1.0
|
CA
|
A:LYS196
|
4.0
|
71.1
|
0.7
|
CE
|
A:LYS196
|
4.0
|
42.1
|
0.7
|
HB2
|
A:TYR193
|
4.0
|
39.6
|
1.0
|
P
|
b:G6
|
4.0
|
32.0
|
1.0
|
MG
|
A:MG201
|
4.1
|
27.3
|
1.0
|
CA
|
A:GLY194
|
4.2
|
37.4
|
1.0
|
O5'
|
b:G6
|
4.2
|
32.5
|
1.0
|
C
|
A:TYR193
|
4.4
|
45.4
|
1.0
|
N
|
A:TYR193
|
4.4
|
32.2
|
1.0
|
OP1
|
b:G6
|
4.5
|
32.5
|
1.0
|
CG
|
A:ARG195
|
4.6
|
36.2
|
0.8
|
CA
|
A:TYR193
|
4.7
|
34.6
|
1.0
|
CB
|
A:TYR193
|
4.7
|
33.0
|
1.0
|
O
|
A:ARG195
|
4.7
|
69.2
|
0.8
|
P
|
b:C5
|
4.9
|
37.8
|
0.7
|
HB3
|
A:TYR193
|
5.0
|
39.6
|
1.0
|
|
Rubidium binding site 2 out
of 5 in 6dow
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Rubidium Binding Sites List in 6dow
Rubidium binding site 2 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Rubidium with other atoms in the Rb binding
site number 2 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rb204
b:37.9
occ:0.10
|
NZ
|
A:LYS196
|
1.0
|
46.1
|
0.7
|
O
|
A:HOH355
|
2.2
|
42.5
|
1.0
|
O
|
A:HOH328
|
2.4
|
33.7
|
0.3
|
CE
|
A:LYS196
|
2.5
|
42.1
|
0.7
|
RB
|
A:RB203
|
2.8
|
36.0
|
0.1
|
OP3
|
b:C5
|
2.9
|
44.0
|
0.7
|
OE2
|
A:GLU188
|
2.9
|
89.4
|
1.0
|
OD1
|
A:ASP192
|
3.1
|
33.0
|
1.0
|
OE1
|
A:GLU188
|
3.2
|
53.6
|
1.0
|
CD
|
A:GLU188
|
3.2
|
68.0
|
1.0
|
OD2
|
A:ASP192
|
3.3
|
33.9
|
1.0
|
CD
|
A:LYS196
|
3.4
|
45.6
|
0.7
|
CG
|
A:LYS196
|
3.5
|
38.8
|
0.7
|
O
|
b:HOH102
|
3.5
|
29.8
|
0.7
|
CB
|
A:LYS196
|
3.5
|
53.5
|
0.7
|
CG
|
A:ASP192
|
3.5
|
32.5
|
1.0
|
O
|
A:HOH309
|
3.8
|
28.6
|
0.3
|
MG
|
A:MG201
|
4.0
|
27.3
|
1.0
|
O
|
A:HOH319
|
4.1
|
28.1
|
1.0
|
OP2
|
b:C5
|
4.1
|
37.7
|
0.3
|
P
|
b:C5
|
4.2
|
37.8
|
0.7
|
CG
|
A:GLU188
|
4.3
|
61.1
|
1.0
|
OP2
|
b:C5
|
4.3
|
28.4
|
0.7
|
N
|
A:LYS196
|
4.5
|
53.6
|
0.7
|
CA
|
A:LYS196
|
4.6
|
71.1
|
0.7
|
OP2
|
b:G6
|
4.7
|
33.8
|
1.0
|
CB
|
A:ASP192
|
4.9
|
32.3
|
1.0
|
HB2
|
A:ASP192
|
4.9
|
38.7
|
1.0
|
O
|
A:HOH312
|
4.9
|
32.0
|
1.0
|
|
Rubidium binding site 3 out
of 5 in 6dow
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Rubidium Binding Sites List in 6dow
Rubidium binding site 3 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Rubidium with other atoms in the Rb binding
site number 3 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rb205
b:34.8
occ:0.10
|
O
|
A:HOH419
|
2.6
|
64.3
|
1.0
|
O
|
A:LYS121
|
3.0
|
29.3
|
1.0
|
OD1
|
A:ASN124
|
3.0
|
41.2
|
1.0
|
HG2
|
A:LYS121
|
3.3
|
35.1
|
1.0
|
O
|
A:HOH405
|
3.5
|
57.8
|
1.0
|
HG3
|
A:LYS121
|
3.7
|
35.1
|
1.0
|
CG
|
A:LYS121
|
3.9
|
29.2
|
1.0
|
C
|
A:LYS121
|
4.0
|
26.1
|
1.0
|
HE3
|
A:LYS121
|
4.1
|
47.6
|
1.0
|
CG
|
A:ASN124
|
4.1
|
39.3
|
1.0
|
HA
|
A:ASN124
|
4.2
|
30.3
|
1.0
|
H
|
A:ASN124
|
4.3
|
29.4
|
1.0
|
HZ2
|
A:LYS121
|
4.3
|
45.5
|
1.0
|
HA
|
A:LYS121
|
4.4
|
26.8
|
1.0
|
O
|
A:HOH430
|
4.5
|
63.1
|
1.0
|
O
|
A:HOH380
|
4.5
|
49.0
|
1.0
|
HD21
|
A:ASN124
|
4.6
|
60.6
|
1.0
|
CA
|
A:LYS121
|
4.7
|
22.3
|
1.0
|
CE
|
A:LYS121
|
4.8
|
39.7
|
1.0
|
ND2
|
A:ASN124
|
4.8
|
50.5
|
1.0
|
CA
|
A:ASN124
|
4.9
|
25.3
|
1.0
|
N
|
A:ASN124
|
4.9
|
24.5
|
1.0
|
O
|
A:HOH368
|
4.9
|
38.8
|
1.0
|
NZ
|
A:LYS121
|
4.9
|
37.9
|
1.0
|
CB
|
A:LYS121
|
4.9
|
22.4
|
1.0
|
N
|
A:GLU122
|
4.9
|
25.3
|
1.0
|
CD
|
A:LYS121
|
5.0
|
29.9
|
1.0
|
|
Rubidium binding site 4 out
of 5 in 6dow
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Rubidium Binding Sites List in 6dow
Rubidium binding site 4 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Rubidium with other atoms in the Rb binding
site number 4 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rb101
b:31.0
occ:0.30
|
O
|
A:HOH309
|
1.4
|
28.6
|
0.3
|
O
|
B:HOH208
|
2.4
|
44.3
|
1.0
|
OP2
|
b:C5
|
2.7
|
37.7
|
0.3
|
OP2
|
b:C5
|
2.8
|
28.4
|
0.7
|
C5'
|
B:U4
|
3.0
|
28.0
|
0.7
|
C5'
|
B:U4
|
3.3
|
40.7
|
0.3
|
O
|
A:HOH341
|
3.3
|
27.2
|
1.0
|
HG21
|
A:THR183
|
3.3
|
41.4
|
1.0
|
HG1
|
A:THR183
|
3.4
|
35.5
|
1.0
|
OP1
|
B:U4
|
3.4
|
35.8
|
1.0
|
O5'
|
B:U4
|
3.4
|
34.0
|
0.3
|
O
|
b:HOH101
|
3.5
|
35.9
|
1.0
|
O5'
|
B:U4
|
3.5
|
38.0
|
0.7
|
OD2
|
A:ASP132
|
3.6
|
39.9
|
1.0
|
OE1
|
A:GLU188
|
3.7
|
53.6
|
1.0
|
O
|
A:HOH319
|
3.8
|
28.1
|
1.0
|
P
|
B:U4
|
3.8
|
33.3
|
1.0
|
HB2
|
A:ASP132
|
3.8
|
32.8
|
1.0
|
P
|
b:C5
|
3.8
|
28.1
|
0.3
|
C3'
|
B:U4
|
3.9
|
40.9
|
0.3
|
O3'
|
B:U4
|
3.9
|
32.9
|
0.3
|
P
|
b:C5
|
4.0
|
37.8
|
0.7
|
CG
|
A:ASP132
|
4.0
|
24.6
|
1.0
|
OP2
|
B:U4
|
4.1
|
35.2
|
1.0
|
C4'
|
B:U4
|
4.1
|
37.5
|
0.3
|
OE2
|
A:GLU188
|
4.1
|
89.4
|
1.0
|
OG1
|
A:THR183
|
4.2
|
29.6
|
1.0
|
CG2
|
A:THR183
|
4.2
|
34.5
|
1.0
|
CD
|
A:GLU188
|
4.3
|
68.0
|
1.0
|
C4'
|
B:U4
|
4.3
|
35.7
|
0.7
|
CB
|
A:ASP132
|
4.4
|
27.4
|
1.0
|
OP1
|
b:C5
|
4.4
|
33.7
|
0.7
|
HG23
|
A:THR183
|
4.4
|
41.4
|
1.0
|
OP3
|
b:C5
|
4.5
|
44.0
|
0.7
|
OP1
|
b:C5
|
4.6
|
37.6
|
0.3
|
C3'
|
B:U4
|
4.6
|
34.1
|
0.7
|
HB3
|
A:ASP132
|
4.7
|
32.8
|
1.0
|
OD1
|
A:ASP132
|
4.7
|
29.7
|
1.0
|
NZ
|
A:LYS196
|
4.7
|
46.1
|
0.7
|
CB
|
A:THR183
|
4.7
|
32.8
|
1.0
|
HB
|
A:THR183
|
4.7
|
39.4
|
1.0
|
O
|
A:HOH328
|
4.8
|
33.7
|
0.3
|
CE
|
A:LYS196
|
4.8
|
42.1
|
0.7
|
HG22
|
A:THR183
|
4.9
|
41.4
|
1.0
|
|
Rubidium binding site 5 out
of 5 in 6dow
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Rubidium Binding Sites List in 6dow
Rubidium binding site 5 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Rubidium with other atoms in the Rb binding
site number 5 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 5 Mm MG2+ and 200 Mm Rb+ For 160 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Rb101
b:52.5
occ:0.40
|
O
|
C:HOH210
|
2.5
|
29.2
|
0.6
|
O6
|
C:DG5
|
2.6
|
34.5
|
1.0
|
O
|
C:HOH209
|
3.2
|
36.2
|
1.0
|
C2
|
C:EDO103
|
3.5
|
49.1
|
1.0
|
O
|
C:HOH202
|
3.5
|
54.5
|
1.0
|
O4
|
C:DT4
|
3.6
|
32.0
|
1.0
|
C6
|
C:DG5
|
3.7
|
36.5
|
1.0
|
N4
|
B:C2
|
4.1
|
35.9
|
1.0
|
O2
|
C:EDO103
|
4.2
|
43.1
|
1.0
|
N7
|
C:DG5
|
4.2
|
30.0
|
1.0
|
O
|
B:HOH203
|
4.3
|
57.0
|
1.0
|
C5
|
C:DG5
|
4.3
|
31.3
|
1.0
|
N6
|
B:A1
|
4.3
|
32.9
|
1.0
|
C7
|
C:DT4
|
4.4
|
31.6
|
1.0
|
C4
|
C:DT4
|
4.4
|
29.9
|
1.0
|
O1
|
C:EDO103
|
4.5
|
67.4
|
1.0
|
C1
|
C:EDO103
|
4.6
|
49.4
|
1.0
|
N6
|
B:A3
|
4.7
|
27.8
|
1.0
|
C5
|
C:DT4
|
4.8
|
29.4
|
1.0
|
O4
|
C:DT6
|
4.9
|
40.7
|
1.0
|
N1
|
C:DG5
|
4.9
|
35.1
|
1.0
|
|
Reference:
N.L.Samara,
W.Yang.
Cation Trafficking Propels Rna Hydrolysis. Nat. Struct. Mol. Biol. V. 25 715 2018.
ISSN: ESSN 1545-9985
PubMed: 30076410
DOI: 10.1038/S41594-018-0099-4
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