Iodine in PDB 6dpe: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C
Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 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 20 Mm MN2+ and 200 Mm K+ For 40 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpe
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)
|
19.24 /
1.56
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.981,
38.478,
60.610,
90.00,
96.05,
90.00
|
R / Rfree (%)
|
17.2 /
21.7
|
Other elements in 6dpe:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C
(pdb code 6dpe). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpe:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
Iodine binding site 1 out
of 5 in 6dpe
Go back to
Iodine Binding Sites List in 6dpe
Iodine binding site 1 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I206
b:20.4
occ:0.70
|
HH
|
A:TYR83
|
2.5
|
25.6
|
1.0
|
HD22
|
A:LEU161
|
3.1
|
29.4
|
1.0
|
HD22
|
A:LEU111
|
3.3
|
21.1
|
1.0
|
HD13
|
A:LEU111
|
3.3
|
22.0
|
1.0
|
HE2
|
A:TYR83
|
3.3
|
22.9
|
1.0
|
OH
|
A:TYR83
|
3.4
|
21.4
|
1.0
|
HB3
|
A:LEU161
|
3.4
|
24.6
|
1.0
|
HD13
|
A:LEU161
|
3.4
|
33.5
|
1.0
|
HB3
|
A:LEU111
|
3.5
|
17.5
|
1.0
|
O
|
A:HOH379
|
3.5
|
22.6
|
1.0
|
HD3
|
A:ARG97
|
3.7
|
26.6
|
1.0
|
O
|
A:HOH332
|
3.7
|
20.9
|
1.0
|
HH11
|
A:ARG97
|
3.8
|
61.1
|
1.0
|
C1
|
A:GOL212
|
4.0
|
45.7
|
1.0
|
CE2
|
A:TYR83
|
4.1
|
19.1
|
1.0
|
CD2
|
A:LEU161
|
4.1
|
24.5
|
1.0
|
O1
|
A:GOL212
|
4.2
|
30.4
|
1.0
|
CZ
|
A:TYR83
|
4.2
|
17.9
|
1.0
|
CD2
|
A:LEU111
|
4.2
|
17.6
|
1.0
|
CD1
|
A:LEU111
|
4.2
|
18.3
|
1.0
|
CB
|
A:LEU161
|
4.3
|
20.5
|
1.0
|
CD1
|
A:LEU161
|
4.3
|
27.9
|
1.0
|
NH1
|
A:ARG97
|
4.3
|
50.9
|
1.0
|
CB
|
A:LEU111
|
4.4
|
14.6
|
1.0
|
CG
|
A:LEU161
|
4.5
|
22.7
|
1.0
|
CG
|
A:LEU111
|
4.5
|
15.9
|
1.0
|
HG2
|
A:ARG97
|
4.5
|
26.2
|
1.0
|
HD21
|
A:LEU161
|
4.6
|
29.4
|
1.0
|
HD23
|
A:LEU161
|
4.6
|
29.4
|
1.0
|
O
|
A:HOH312
|
4.6
|
44.5
|
1.0
|
HH12
|
A:ARG97
|
4.6
|
61.1
|
1.0
|
HB2
|
A:HIS115
|
4.6
|
21.0
|
1.0
|
CD
|
A:ARG97
|
4.6
|
22.2
|
1.0
|
HD11
|
A:LEU111
|
4.7
|
22.0
|
1.0
|
HD21
|
A:LEU111
|
4.7
|
21.1
|
1.0
|
HD23
|
A:LEU111
|
4.8
|
21.1
|
1.0
|
HD11
|
A:LEU161
|
4.8
|
33.5
|
1.0
|
HD12
|
A:LEU111
|
4.8
|
22.0
|
1.0
|
HB2
|
A:LEU161
|
4.8
|
24.6
|
1.0
|
HD11
|
A:ILE100
|
4.8
|
25.5
|
1.0
|
HB2
|
A:LEU111
|
4.9
|
17.5
|
1.0
|
HD12
|
A:LEU161
|
4.9
|
33.5
|
1.0
|
O
|
A:HOH385
|
4.9
|
23.5
|
1.0
|
|
Iodine binding site 2 out
of 5 in 6dpe
Go back to
Iodine Binding Sites List in 6dpe
Iodine binding site 2 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I207
b:28.6
occ:0.40
|
HG3
|
A:GLN134
|
3.2
|
31.5
|
1.0
|
O
|
A:HOH331
|
3.2
|
26.4
|
1.0
|
HD3
|
A:LYS180
|
3.3
|
26.8
|
1.0
|
HA
|
A:GLN134
|
3.3
|
26.9
|
1.0
|
HB2
|
A:LYS180
|
3.3
|
25.2
|
1.0
|
O
|
A:HOH434
|
3.4
|
41.0
|
1.0
|
O
|
A:HOH378
|
3.5
|
32.9
|
1.0
|
HD12
|
A:ILE137
|
3.7
|
23.7
|
1.0
|
HG2
|
A:LYS180
|
3.9
|
27.4
|
1.0
|
HG21
|
A:ILE137
|
4.0
|
28.1
|
1.0
|
CG
|
A:GLN134
|
4.1
|
26.2
|
1.0
|
CD
|
A:LYS180
|
4.1
|
22.4
|
1.0
|
CB
|
A:LYS180
|
4.2
|
21.0
|
1.0
|
CA
|
A:GLN134
|
4.2
|
22.4
|
1.0
|
HB
|
A:ILE137
|
4.2
|
23.8
|
1.0
|
HB2
|
A:GLN134
|
4.2
|
26.9
|
1.0
|
HD13
|
A:ILE137
|
4.2
|
23.7
|
1.0
|
CG
|
A:LYS180
|
4.3
|
22.8
|
1.0
|
CB
|
A:GLN134
|
4.3
|
22.4
|
1.0
|
CD1
|
A:ILE137
|
4.4
|
19.7
|
1.0
|
HE21
|
A:GLN134
|
4.5
|
39.9
|
1.0
|
HE3
|
A:LYS180
|
4.5
|
32.8
|
1.0
|
HG2
|
A:GLN134
|
4.5
|
31.5
|
1.0
|
O
|
A:HOH432
|
4.6
|
59.3
|
1.0
|
HB3
|
A:LYS180
|
4.6
|
25.2
|
1.0
|
CG2
|
A:ILE137
|
4.7
|
23.5
|
1.0
|
O
|
A:HOH437
|
4.7
|
57.8
|
1.0
|
HG22
|
A:ILE137
|
4.7
|
28.1
|
1.0
|
CE
|
A:LYS180
|
4.8
|
27.3
|
1.0
|
HD2
|
A:LYS180
|
4.8
|
26.8
|
1.0
|
CB
|
A:ILE137
|
4.8
|
19.8
|
1.0
|
O
|
A:GLN134
|
4.8
|
22.1
|
1.0
|
HE2
|
A:LYS180
|
4.9
|
32.8
|
1.0
|
|
Iodine binding site 3 out
of 5 in 6dpe
Go back to
Iodine Binding Sites List in 6dpe
Iodine binding site 3 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I208
b:29.7
occ:0.25
|
O
|
A:HOH442
|
3.0
|
50.5
|
1.0
|
HG2
|
A:PRO177
|
3.2
|
24.9
|
1.0
|
HD11
|
A:LEU179
|
3.2
|
25.2
|
1.0
|
CD1
|
A:ILE64
|
3.6
|
41.2
|
1.0
|
HB2
|
A:PRO177
|
3.7
|
27.1
|
1.0
|
HD21
|
A:LEU179
|
3.8
|
25.6
|
1.0
|
CG
|
A:PRO177
|
4.0
|
20.8
|
1.0
|
CG
|
A:PRO128
|
4.0
|
23.4
|
1.0
|
HB3
|
A:PRO177
|
4.1
|
27.1
|
1.0
|
CB
|
A:PRO177
|
4.1
|
22.6
|
1.0
|
CD1
|
A:LEU179
|
4.2
|
21.0
|
1.0
|
CB
|
A:PRO128
|
4.2
|
20.5
|
1.0
|
O
|
A:HOH441
|
4.3
|
51.4
|
1.0
|
HD13
|
A:LEU179
|
4.4
|
25.2
|
1.0
|
HG3
|
A:PRO177
|
4.4
|
24.9
|
1.0
|
CD2
|
A:LEU179
|
4.6
|
21.3
|
1.0
|
HD12
|
A:LEU179
|
4.7
|
25.2
|
1.0
|
CG1
|
A:ILE64
|
4.8
|
33.3
|
1.0
|
CD
|
A:PRO128
|
4.8
|
19.4
|
1.0
|
CG
|
A:LEU179
|
4.9
|
19.5
|
1.0
|
HD22
|
A:LEU179
|
4.9
|
25.6
|
1.0
|
HG
|
A:LEU179
|
4.9
|
23.4
|
1.0
|
HD2
|
A:PRO177
|
4.9
|
25.2
|
1.0
|
CG2
|
A:ILE64
|
5.0
|
24.8
|
1.0
|
|
Iodine binding site 4 out
of 5 in 6dpe
Go back to
Iodine Binding Sites List in 6dpe
Iodine binding site 4 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I209
b:37.4
occ:0.35
|
HD2
|
A:HIS172
|
3.0
|
26.2
|
1.0
|
HE3
|
A:LYS121
|
3.4
|
52.8
|
1.0
|
HE2
|
A:LYS121
|
3.7
|
52.8
|
1.0
|
O
|
A:HOH410
|
3.7
|
27.8
|
1.0
|
CD2
|
A:HIS172
|
3.8
|
21.8
|
1.0
|
O
|
A:HOH413
|
3.9
|
44.6
|
1.0
|
O
|
A:HOH365
|
4.0
|
35.3
|
1.0
|
CE
|
A:LYS121
|
4.0
|
44.0
|
1.0
|
O
|
A:HOH392
|
4.1
|
35.0
|
1.0
|
NE2
|
A:HIS172
|
4.2
|
25.8
|
1.0
|
HD3
|
A:LYS121
|
4.4
|
32.0
|
1.0
|
CD
|
A:LYS121
|
4.7
|
26.7
|
1.0
|
HG2
|
A:LYS121
|
4.9
|
25.5
|
1.0
|
|
Iodine binding site 5 out
of 5 in 6dpe
Go back to
Iodine Binding Sites List in 6dpe
Iodine binding site 5 out
of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I102
b:39.5
occ:0.30
|
O
|
A:HOH380
|
3.1
|
43.2
|
1.0
|
C3'
|
b:G6
|
4.0
|
27.0
|
1.0
|
CB
|
A:ARG195
|
4.2
|
26.9
|
1.0
|
C2'
|
b:G6
|
4.2
|
28.7
|
1.0
|
C5'
|
b:G6
|
4.3
|
24.0
|
1.0
|
O
|
A:ARG195
|
4.4
|
37.8
|
1.0
|
CG
|
A:ARG195
|
4.6
|
27.6
|
1.0
|
C4'
|
b:G6
|
4.8
|
24.6
|
1.0
|
CD
|
A:ARG195
|
4.8
|
29.4
|
1.0
|
O3'
|
b:G6
|
4.9
|
33.1
|
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 23:02:35 2024
|