Iodine in PDB 6doe: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C
Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 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 2 Mm MG2+ and 200 Mm K+ For 420 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 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C, PDB code: 6doe
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)
|
31.01 /
1.45
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.612,
38.036,
62.403,
90.00,
96.29,
90.00
|
R / Rfree (%)
|
17 /
19.8
|
Other elements in 6doe:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C also contains other interesting chemical elements:
Iodine Binding Sites:
The binding sites of Iodine atom in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C
(pdb code 6doe). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C, PDB code: 6doe:
Jump to Iodine binding site number:
1;
2;
3;
4;
Iodine binding site 1 out
of 4 in 6doe
Go back to
Iodine Binding Sites List in 6doe
Iodine binding site 1 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I204
b:13.8
occ:0.45
|
HH
|
A:TYR83
|
2.5
|
21.0
|
1.0
|
HD22
|
A:LEU161
|
3.1
|
24.5
|
1.0
|
HD22
|
A:LEU111
|
3.3
|
15.4
|
1.0
|
HD13
|
A:LEU161
|
3.3
|
27.1
|
1.0
|
HB3
|
A:LEU161
|
3.3
|
18.8
|
1.0
|
OH
|
A:TYR83
|
3.4
|
17.5
|
1.0
|
O
|
A:HOH381
|
3.4
|
50.3
|
1.0
|
HE2
|
A:TYR83
|
3.4
|
17.6
|
1.0
|
HD13
|
A:LEU111
|
3.5
|
14.6
|
1.0
|
HD3
|
A:ARG97
|
3.5
|
23.9
|
1.0
|
HB3
|
A:LEU111
|
3.5
|
12.4
|
1.0
|
O
|
A:HOH382
|
3.6
|
19.5
|
1.0
|
O
|
A:HOH353
|
3.6
|
15.8
|
1.0
|
HH11
|
A:ARG97
|
3.8
|
31.9
|
1.0
|
CD2
|
A:LEU161
|
4.0
|
20.4
|
1.0
|
CE2
|
A:TYR83
|
4.1
|
14.7
|
1.0
|
CZ
|
A:TYR83
|
4.2
|
15.3
|
1.0
|
CD1
|
A:LEU161
|
4.2
|
22.5
|
1.0
|
CB
|
A:LEU161
|
4.2
|
15.7
|
1.0
|
CD2
|
A:LEU111
|
4.2
|
12.8
|
1.0
|
NH1
|
A:ARG97
|
4.3
|
26.6
|
1.0
|
O3
|
A:GOL212
|
4.3
|
32.2
|
1.0
|
CD1
|
A:LEU111
|
4.3
|
12.2
|
1.0
|
CG
|
A:LEU161
|
4.4
|
16.8
|
1.0
|
C3
|
A:GOL212
|
4.4
|
54.6
|
1.0
|
CB
|
A:LEU111
|
4.4
|
10.3
|
1.0
|
CD
|
A:ARG97
|
4.4
|
19.9
|
1.0
|
O
|
A:HOH315
|
4.4
|
40.4
|
1.0
|
HG2
|
A:ARG97
|
4.5
|
20.1
|
1.0
|
CG
|
A:LEU111
|
4.5
|
11.1
|
1.0
|
HD21
|
A:LEU161
|
4.5
|
24.5
|
1.0
|
HH12
|
A:ARG97
|
4.6
|
31.9
|
1.0
|
HD23
|
A:LEU161
|
4.6
|
24.5
|
1.0
|
HD11
|
A:LEU161
|
4.7
|
27.1
|
1.0
|
HB2
|
A:LEU161
|
4.7
|
18.8
|
1.0
|
HD21
|
A:LEU111
|
4.7
|
15.4
|
1.0
|
HB2
|
A:HIS115
|
4.7
|
12.7
|
1.0
|
HD11
|
A:ILE100
|
4.8
|
22.8
|
1.0
|
HD23
|
A:LEU111
|
4.8
|
15.4
|
1.0
|
HD11
|
A:LEU111
|
4.8
|
14.6
|
1.0
|
O
|
A:HOH386
|
4.8
|
18.9
|
1.0
|
HD12
|
A:LEU161
|
4.8
|
27.1
|
1.0
|
HD2
|
A:ARG97
|
4.9
|
23.9
|
1.0
|
HD12
|
A:LEU111
|
5.0
|
14.6
|
1.0
|
HB2
|
A:LEU111
|
5.0
|
12.4
|
1.0
|
CZ
|
A:ARG97
|
5.0
|
23.5
|
1.0
|
|
Iodine binding site 2 out
of 4 in 6doe
Go back to
Iodine Binding Sites List in 6doe
Iodine binding site 2 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I205
b:30.3
occ:0.40
|
HD3
|
A:LYS180
|
3.1
|
27.9
|
1.0
|
O
|
A:HOH368
|
3.2
|
21.4
|
1.0
|
HB2
|
A:LYS180
|
3.2
|
18.1
|
1.0
|
HG3
|
A:GLN134
|
3.2
|
24.9
|
1.0
|
O
|
A:HOH455
|
3.3
|
28.4
|
1.0
|
HA
|
A:GLN134
|
3.3
|
15.6
|
1.0
|
O4
|
A:PGE216
|
3.6
|
28.4
|
1.0
|
HD12
|
A:ILE137
|
3.7
|
18.2
|
1.0
|
C6
|
A:PGE216
|
3.8
|
55.5
|
1.0
|
HG2
|
A:LYS180
|
3.9
|
19.9
|
1.0
|
CD
|
A:LYS180
|
4.0
|
23.2
|
1.0
|
HG21
|
A:ILE137
|
4.0
|
18.8
|
1.0
|
O
|
A:HOH456
|
4.0
|
49.6
|
1.0
|
CB
|
A:LYS180
|
4.1
|
15.1
|
1.0
|
HD13
|
A:ILE137
|
4.1
|
18.2
|
1.0
|
HB
|
A:ILE137
|
4.1
|
16.7
|
1.0
|
CG
|
A:GLN134
|
4.2
|
20.8
|
1.0
|
CG
|
A:LYS180
|
4.2
|
16.6
|
1.0
|
CA
|
A:GLN134
|
4.2
|
13.0
|
1.0
|
CD1
|
A:ILE137
|
4.3
|
15.2
|
1.0
|
HE21
|
A:GLN134
|
4.4
|
32.5
|
1.0
|
O
|
A:HOH449
|
4.5
|
36.8
|
1.0
|
HE3
|
A:LYS180
|
4.5
|
28.0
|
1.0
|
HB2
|
A:GLN134
|
4.5
|
21.0
|
1.0
|
HB3
|
A:LYS180
|
4.5
|
18.1
|
1.0
|
CB
|
A:GLN134
|
4.5
|
17.5
|
1.0
|
HG2
|
A:GLN134
|
4.6
|
24.9
|
1.0
|
CE
|
A:LYS180
|
4.6
|
23.3
|
1.0
|
HD2
|
A:LYS180
|
4.7
|
27.9
|
1.0
|
HE2
|
A:LYS180
|
4.7
|
28.0
|
1.0
|
CG2
|
A:ILE137
|
4.7
|
15.7
|
1.0
|
CB
|
A:ILE137
|
4.8
|
13.9
|
1.0
|
HG22
|
A:ILE137
|
4.8
|
18.8
|
1.0
|
O
|
A:GLN134
|
4.9
|
16.1
|
1.0
|
|
Iodine binding site 3 out
of 4 in 6doe
Go back to
Iodine Binding Sites List in 6doe
Iodine binding site 3 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I206
b:27.8
occ:0.30
|
O
|
A:HOH458
|
2.8
|
28.4
|
1.0
|
HD13
|
A:ILE64
|
3.0
|
40.4
|
1.0
|
HG2
|
A:PRO177
|
3.1
|
16.5
|
1.0
|
HD11
|
A:LEU179
|
3.2
|
19.8
|
1.0
|
HG3
|
A:PRO128
|
3.2
|
18.7
|
1.0
|
HB3
|
A:PRO128
|
3.4
|
15.1
|
1.0
|
HB2
|
A:PRO177
|
3.5
|
16.6
|
1.0
|
CD1
|
A:ILE64
|
3.7
|
33.7
|
1.0
|
HD11
|
A:ILE64
|
3.8
|
40.4
|
1.0
|
HD21
|
A:LEU179
|
3.8
|
19.8
|
1.0
|
HD12
|
A:ILE64
|
3.8
|
40.4
|
1.0
|
CG
|
A:PRO177
|
3.9
|
13.8
|
1.0
|
CB
|
A:PRO177
|
4.0
|
13.8
|
1.0
|
HB3
|
A:PRO177
|
4.0
|
16.6
|
1.0
|
CG
|
A:PRO128
|
4.1
|
15.6
|
1.0
|
CB
|
A:PRO128
|
4.1
|
12.6
|
1.0
|
CD1
|
A:LEU179
|
4.2
|
16.5
|
1.0
|
HG21
|
A:ILE64
|
4.2
|
23.4
|
1.0
|
HG3
|
A:PRO177
|
4.4
|
16.5
|
1.0
|
HB2
|
A:PRO128
|
4.5
|
15.1
|
1.0
|
HD3
|
A:PRO128
|
4.5
|
13.6
|
1.0
|
HD13
|
A:LEU179
|
4.5
|
19.8
|
1.0
|
CD2
|
A:LEU179
|
4.6
|
16.5
|
1.0
|
HD12
|
A:LEU179
|
4.7
|
19.8
|
1.0
|
HD2
|
A:PRO177
|
4.7
|
16.5
|
1.0
|
HG2
|
A:PRO128
|
4.7
|
18.7
|
1.0
|
CG
|
A:LEU179
|
4.9
|
14.7
|
1.0
|
CD
|
A:PRO128
|
4.9
|
11.3
|
1.0
|
HG
|
A:LEU179
|
4.9
|
17.7
|
1.0
|
HD22
|
A:LEU179
|
4.9
|
19.8
|
1.0
|
CD
|
A:PRO177
|
4.9
|
13.8
|
1.0
|
|
Iodine binding site 4 out
of 4 in 6doe
Go back to
Iodine Binding Sites List in 6doe
Iodine binding site 4 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 420 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I207
b:45.5
occ:0.35
|
HD2
|
A:HIS172
|
3.0
|
19.8
|
1.0
|
HE3
|
A:LYS121
|
3.5
|
33.5
|
1.0
|
O
|
A:HOH362
|
3.7
|
44.2
|
1.0
|
CD2
|
A:HIS172
|
3.7
|
16.5
|
1.0
|
HE2
|
A:LYS121
|
3.8
|
33.5
|
1.0
|
O
|
A:HOH440
|
3.9
|
46.9
|
1.0
|
O
|
A:HOH420
|
3.9
|
25.5
|
1.0
|
NE2
|
A:HIS172
|
4.0
|
19.9
|
1.0
|
CE
|
A:LYS121
|
4.1
|
27.9
|
1.0
|
O
|
A:HOH413
|
4.2
|
30.4
|
1.0
|
HD3
|
A:LYS121
|
4.5
|
23.5
|
1.0
|
CD
|
A:LYS121
|
4.9
|
19.6
|
1.0
|
HG2
|
A:LYS121
|
5.0
|
18.1
|
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
Page generated: Sun Aug 11 22:54:58 2024
|