Chlorine in PDB 6dpl: Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C
Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C
All present enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C:
3.1.26.4;
Protein crystallography data
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C, PDB code: 6dpl
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)
|
19.50 /
1.45
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.856,
37.521,
62.706,
90.00,
97.31,
90.00
|
R / Rfree (%)
|
15.1 /
17.9
|
Other elements in 6dpl:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C
(pdb code 6dpl). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the
Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C, PDB code: 6dpl:
Jump to Chlorine binding site number:
1;
2;
3;
Chlorine binding site 1 out
of 3 in 6dpl
Go back to
Chlorine Binding Sites List in 6dpl
Chlorine binding site 1 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C
 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 Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:35.3
occ:0.75
|
HH
|
A:TYR83
|
2.2
|
27.7
|
1.0
|
HD22
|
A:LEU111
|
3.0
|
20.0
|
1.0
|
OH
|
A:TYR83
|
3.0
|
23.1
|
1.0
|
O
|
A:HOH374
|
3.0
|
32.9
|
1.0
|
HB3
|
A:LEU111
|
3.2
|
15.8
|
1.0
|
HD13
|
A:LEU111
|
3.2
|
22.3
|
1.0
|
HD22
|
A:LEU161
|
3.2
|
29.5
|
1.0
|
HE2
|
A:TYR83
|
3.3
|
24.4
|
1.0
|
HD13
|
A:LEU161
|
3.3
|
25.4
|
1.0
|
HB3
|
A:LEU161
|
3.3
|
19.6
|
1.0
|
O
|
A:HOH344
|
3.5
|
20.1
|
1.0
|
C3
|
A:GOL213
|
3.6
|
64.8
|
1.0
|
HD3
|
A:ARG97
|
3.8
|
29.5
|
1.0
|
CD2
|
A:LEU111
|
3.9
|
16.7
|
1.0
|
CZ
|
A:TYR83
|
3.9
|
20.1
|
1.0
|
CE2
|
A:TYR83
|
3.9
|
20.4
|
1.0
|
CB
|
A:LEU111
|
4.0
|
13.2
|
1.0
|
CD1
|
A:LEU111
|
4.0
|
18.6
|
1.0
|
CD2
|
A:LEU161
|
4.1
|
24.6
|
1.0
|
CD1
|
A:LEU161
|
4.2
|
21.2
|
1.0
|
O3
|
A:GOL213
|
4.2
|
62.4
|
1.0
|
CB
|
A:LEU161
|
4.2
|
16.3
|
1.0
|
CG
|
A:LEU111
|
4.2
|
13.7
|
1.0
|
HH11
|
A:ARG97
|
4.2
|
52.5
|
1.0
|
CG
|
A:LEU161
|
4.4
|
18.9
|
1.0
|
HD21
|
A:LEU111
|
4.4
|
20.0
|
1.0
|
HD23
|
A:LEU111
|
4.5
|
20.0
|
1.0
|
O
|
A:HOH363
|
4.5
|
24.6
|
1.0
|
HB2
|
A:HIS115
|
4.5
|
17.8
|
1.0
|
HD11
|
A:LEU111
|
4.5
|
22.3
|
1.0
|
HG2
|
A:ARG97
|
4.6
|
28.6
|
1.0
|
HB2
|
A:LEU111
|
4.6
|
15.8
|
1.0
|
HD12
|
A:LEU111
|
4.7
|
22.3
|
1.0
|
HD21
|
A:LEU161
|
4.7
|
29.5
|
1.0
|
O
|
A:HOH304
|
4.7
|
36.0
|
1.0
|
HD11
|
A:LEU161
|
4.7
|
25.4
|
1.0
|
HD23
|
A:LEU161
|
4.7
|
29.5
|
1.0
|
HB2
|
A:LEU161
|
4.7
|
19.6
|
1.0
|
NH1
|
A:ARG97
|
4.7
|
43.8
|
1.0
|
CD
|
A:ARG97
|
4.7
|
24.6
|
1.0
|
HD12
|
A:LEU161
|
4.8
|
25.4
|
1.0
|
HA
|
A:LEU111
|
4.8
|
16.2
|
1.0
|
O
|
A:LEU111
|
4.9
|
13.8
|
1.0
|
C2
|
A:GOL213
|
4.9
|
67.5
|
1.0
|
ND1
|
A:HIS115
|
4.9
|
34.1
|
1.0
|
HD11
|
A:ILE100
|
4.9
|
28.5
|
1.0
|
CA
|
A:LEU111
|
4.9
|
13.5
|
1.0
|
HB2
|
A:ALA165
|
5.0
|
18.4
|
1.0
|
O2
|
A:GOL213
|
5.0
|
68.3
|
1.0
|
|
Chlorine binding site 2 out
of 3 in 6dpl
Go back to
Chlorine Binding Sites List in 6dpl
Chlorine binding site 2 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C
 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 Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl208
b:44.8
occ:0.60
|
O
|
A:HOH351
|
3.0
|
25.1
|
1.0
|
HD3
|
A:LYS180
|
3.0
|
36.2
|
1.0
|
O
|
A:HOH427
|
3.0
|
41.4
|
1.0
|
HA
|
A:GLN134
|
3.1
|
22.1
|
1.0
|
HG3
|
A:GLN134
|
3.2
|
31.4
|
1.0
|
HB2
|
A:LYS180
|
3.2
|
26.9
|
1.0
|
HD12
|
A:ILE137
|
3.4
|
22.3
|
1.0
|
HG21
|
A:ILE137
|
3.8
|
27.5
|
1.0
|
O
|
A:HOH319
|
3.8
|
32.1
|
1.0
|
HB
|
A:ILE137
|
3.8
|
19.4
|
1.0
|
HD13
|
A:ILE137
|
3.9
|
22.3
|
1.0
|
CD
|
A:LYS180
|
3.9
|
30.1
|
1.0
|
CA
|
A:GLN134
|
4.0
|
18.4
|
1.0
|
CD1
|
A:ILE137
|
4.1
|
18.6
|
1.0
|
CG
|
A:GLN134
|
4.1
|
26.2
|
1.0
|
CB
|
A:LYS180
|
4.1
|
22.4
|
1.0
|
HG2
|
A:LYS180
|
4.1
|
35.0
|
1.0
|
CG
|
A:LYS180
|
4.3
|
29.1
|
1.0
|
HB2
|
A:GLN134
|
4.3
|
25.1
|
1.0
|
CB
|
A:GLN134
|
4.4
|
20.9
|
1.0
|
CG2
|
A:ILE137
|
4.4
|
22.9
|
1.0
|
HG2
|
A:GLN134
|
4.5
|
31.4
|
1.0
|
CB
|
A:ILE137
|
4.5
|
16.1
|
1.0
|
HE3
|
A:LYS180
|
4.5
|
35.6
|
1.0
|
HG22
|
A:ILE137
|
4.5
|
27.5
|
1.0
|
HD2
|
A:LYS180
|
4.5
|
36.2
|
1.0
|
HE21
|
A:GLN134
|
4.6
|
29.2
|
1.0
|
O
|
A:GLN134
|
4.6
|
18.3
|
1.0
|
HB3
|
A:LYS180
|
4.6
|
26.9
|
1.0
|
O
|
A:HOH426
|
4.6
|
38.6
|
1.0
|
CE
|
A:LYS180
|
4.7
|
29.7
|
1.0
|
HE2
|
A:LYS180
|
4.7
|
35.6
|
1.0
|
HD11
|
A:ILE137
|
4.8
|
22.3
|
1.0
|
C
|
A:GLN134
|
4.8
|
18.6
|
1.0
|
CG1
|
A:ILE137
|
4.9
|
15.1
|
1.0
|
HA
|
A:LYS180
|
4.9
|
21.6
|
1.0
|
N
|
A:GLN134
|
5.0
|
16.6
|
1.0
|
O
|
A:HOH415
|
5.0
|
30.5
|
1.0
|
|
Chlorine binding site 3 out
of 3 in 6dpl
Go back to
Chlorine Binding Sites List in 6dpl
Chlorine binding site 3 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C
 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 Bacillus Halodurans Ribonuclease H1 K196A in Complex with An Rna/Dna Hybrid: Reaction in 10 Mm MG2+ and 200 Mm Rb+ For 720 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl209
b:53.6
occ:0.75
|
O
|
A:HOH430
|
2.8
|
41.2
|
0.8
|
O
|
A:HOH429
|
2.9
|
34.4
|
1.0
|
HG3
|
A:PRO128
|
3.3
|
28.4
|
1.0
|
HD11
|
A:LEU179
|
3.3
|
24.7
|
1.0
|
HB3
|
A:PRO128
|
3.4
|
20.9
|
1.0
|
CG
|
A:PRO177
|
3.6
|
20.9
|
1.0
|
CD1
|
A:ILE64
|
3.8
|
42.2
|
1.0
|
HD21
|
A:LEU179
|
3.8
|
29.7
|
1.0
|
CB
|
A:PRO177
|
3.8
|
17.5
|
1.0
|
CG
|
A:PRO128
|
4.0
|
23.7
|
1.0
|
CB
|
A:PRO128
|
4.1
|
17.4
|
1.0
|
O
|
A:HOH431
|
4.2
|
63.6
|
1.0
|
CD1
|
A:LEU179
|
4.2
|
20.6
|
1.0
|
HD3
|
A:PRO128
|
4.3
|
20.6
|
1.0
|
HB2
|
A:PRO128
|
4.5
|
20.9
|
1.0
|
HD13
|
A:LEU179
|
4.6
|
24.7
|
1.0
|
CD2
|
A:LEU179
|
4.7
|
24.8
|
1.0
|
HD12
|
A:LEU179
|
4.7
|
24.7
|
1.0
|
CD
|
A:PRO128
|
4.8
|
17.2
|
1.0
|
HG2
|
A:PRO128
|
4.8
|
28.4
|
1.0
|
CD
|
A:PRO177
|
4.8
|
18.9
|
1.0
|
HG
|
A:LEU179
|
4.9
|
25.4
|
1.0
|
CG
|
A:LEU179
|
4.9
|
21.2
|
1.0
|
HD22
|
A:LEU179
|
5.0
|
29.7
|
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
Page generated: Sat Jul 27 21:45:42 2024
|