Iodine in PDB 6dpf: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 40 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 40 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 40 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 40 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpf
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)
|
19.92 /
1.56
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.726,
37.610,
61.195,
90.00,
96.20,
90.00
|
R / Rfree (%)
|
16.2 /
20.7
|
Other elements in 6dpf:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 40 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 40 Mm MN2+ and 200 Mm K+ For 40 S at 21 C
(pdb code 6dpf). 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 40 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpf:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
Iodine binding site 1 out
of 5 in 6dpf
Go back to
Iodine Binding Sites List in 6dpf
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 40 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 40 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I205
b:24.5
occ:0.70
|
HH
|
A:TYR83
|
2.5
|
32.4
|
1.0
|
HD22
|
A:LEU161
|
3.1
|
30.4
|
1.0
|
HD22
|
A:LEU111
|
3.2
|
28.8
|
1.0
|
HE2
|
A:TYR83
|
3.3
|
24.3
|
1.0
|
OH
|
A:TYR83
|
3.4
|
27.0
|
1.0
|
HB3
|
A:LEU161
|
3.4
|
24.4
|
1.0
|
HD3
|
A:ARG97
|
3.4
|
28.4
|
1.0
|
HD13
|
A:LEU161
|
3.4
|
33.6
|
1.0
|
HB3
|
A:LEU111
|
3.5
|
23.4
|
1.0
|
HD13
|
A:LEU111
|
3.5
|
26.1
|
1.0
|
O
|
A:HOH386
|
3.5
|
24.5
|
1.0
|
O
|
A:HOH346
|
3.6
|
25.1
|
1.0
|
HH11
|
A:ARG97
|
3.8
|
37.3
|
1.0
|
CE2
|
A:TYR83
|
4.1
|
20.2
|
1.0
|
C1
|
A:GOL212
|
4.1
|
52.8
|
1.0
|
CD2
|
A:LEU161
|
4.1
|
25.3
|
1.0
|
CD2
|
A:LEU111
|
4.2
|
24.0
|
1.0
|
CZ
|
A:TYR83
|
4.2
|
21.6
|
1.0
|
CB
|
A:LEU161
|
4.3
|
20.3
|
1.0
|
NH1
|
A:ARG97
|
4.3
|
31.1
|
1.0
|
CD1
|
A:LEU161
|
4.3
|
28.0
|
1.0
|
CB
|
A:LEU111
|
4.4
|
19.5
|
1.0
|
O1
|
A:GOL212
|
4.4
|
40.2
|
1.0
|
CD1
|
A:LEU111
|
4.4
|
21.8
|
1.0
|
CD
|
A:ARG97
|
4.4
|
23.6
|
1.0
|
CG
|
A:LEU161
|
4.5
|
22.9
|
1.0
|
HG2
|
A:ARG97
|
4.5
|
27.6
|
1.0
|
CG
|
A:LEU111
|
4.5
|
17.6
|
1.0
|
HD21
|
A:LEU161
|
4.6
|
30.4
|
1.0
|
HD23
|
A:LEU161
|
4.6
|
30.4
|
1.0
|
O
|
A:HOH301
|
4.6
|
62.0
|
1.0
|
HH12
|
A:ARG97
|
4.6
|
37.3
|
1.0
|
HD21
|
A:LEU111
|
4.6
|
28.8
|
1.0
|
HD23
|
A:LEU111
|
4.7
|
28.8
|
1.0
|
HB2
|
A:HIS115
|
4.7
|
24.7
|
1.0
|
HB2
|
A:LEU161
|
4.8
|
24.4
|
1.0
|
HD11
|
A:LEU161
|
4.8
|
33.6
|
1.0
|
HD11
|
A:ILE100
|
4.8
|
27.7
|
1.0
|
HD11
|
A:LEU111
|
4.9
|
26.1
|
1.0
|
O
|
A:HOH380
|
4.9
|
25.8
|
1.0
|
HB2
|
A:LEU111
|
4.9
|
23.4
|
1.0
|
HD12
|
A:LEU161
|
4.9
|
33.6
|
1.0
|
HD2
|
A:ARG97
|
4.9
|
28.4
|
1.0
|
CZ
|
A:ARG97
|
5.0
|
33.4
|
1.0
|
CG
|
A:ARG97
|
5.0
|
23.0
|
1.0
|
HD12
|
A:LEU111
|
5.0
|
26.1
|
1.0
|
NE
|
A:ARG97
|
5.0
|
27.9
|
1.0
|
|
Iodine binding site 2 out
of 5 in 6dpf
Go back to
Iodine Binding Sites List in 6dpf
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 40 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 40 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:33.5
occ:0.40
|
HD3
|
A:LYS180
|
3.1
|
29.9
|
1.0
|
HB2
|
A:LYS180
|
3.2
|
26.5
|
1.0
|
HG3
|
A:GLN134
|
3.2
|
48.2
|
1.0
|
HA
|
A:GLN134
|
3.3
|
30.5
|
1.0
|
O
|
A:HOH360
|
3.4
|
29.8
|
1.0
|
O
|
A:HOH435
|
3.4
|
43.4
|
1.0
|
O
|
A:HOH387
|
3.5
|
33.5
|
1.0
|
HD12
|
A:ILE137
|
3.7
|
27.9
|
1.0
|
HG2
|
A:LYS180
|
3.9
|
32.1
|
1.0
|
CD
|
A:LYS180
|
4.0
|
24.9
|
1.0
|
HD13
|
A:ILE137
|
4.0
|
27.9
|
1.0
|
CB
|
A:LYS180
|
4.1
|
22.1
|
1.0
|
HB2
|
A:GLN134
|
4.1
|
37.9
|
1.0
|
HG21
|
A:ILE137
|
4.1
|
33.1
|
1.0
|
CG
|
A:GLN134
|
4.1
|
40.2
|
1.0
|
O
|
A:HOH437
|
4.1
|
54.2
|
1.0
|
CA
|
A:GLN134
|
4.2
|
25.4
|
1.0
|
CG
|
A:LYS180
|
4.2
|
26.7
|
1.0
|
HB
|
A:ILE137
|
4.2
|
28.1
|
1.0
|
CB
|
A:GLN134
|
4.3
|
31.6
|
1.0
|
CD1
|
A:ILE137
|
4.3
|
23.3
|
1.0
|
HE3
|
A:LYS180
|
4.4
|
31.0
|
1.0
|
HB3
|
A:LYS180
|
4.5
|
26.5
|
1.0
|
O
|
A:HOH428
|
4.6
|
42.4
|
1.0
|
HD2
|
A:LYS180
|
4.7
|
29.9
|
1.0
|
HG2
|
A:GLN134
|
4.7
|
48.2
|
1.0
|
CE
|
A:LYS180
|
4.7
|
25.9
|
1.0
|
CG2
|
A:ILE137
|
4.8
|
27.6
|
1.0
|
HE2
|
A:LYS180
|
4.8
|
31.0
|
1.0
|
HG22
|
A:ILE137
|
4.9
|
33.1
|
1.0
|
CB
|
A:ILE137
|
4.9
|
23.4
|
1.0
|
O
|
A:GLN134
|
4.9
|
25.4
|
1.0
|
CD
|
A:GLN134
|
5.0
|
56.2
|
1.0
|
|
Iodine binding site 3 out
of 5 in 6dpf
Go back to
Iodine Binding Sites List in 6dpf
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 40 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 40 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:29.9
occ:0.25
|
O
|
A:HOH443
|
2.9
|
52.5
|
1.0
|
HG2
|
A:PRO177
|
3.1
|
30.1
|
1.0
|
HD11
|
A:LEU179
|
3.2
|
33.1
|
1.0
|
CD1
|
A:ILE64
|
3.6
|
43.2
|
1.0
|
HB2
|
A:PRO177
|
3.6
|
29.2
|
1.0
|
HD21
|
A:LEU179
|
3.7
|
30.5
|
1.0
|
CG
|
A:PRO177
|
3.9
|
25.1
|
1.0
|
HB3
|
A:PRO177
|
3.9
|
29.2
|
1.0
|
CB
|
A:PRO177
|
4.0
|
24.3
|
1.0
|
CG
|
A:PRO128
|
4.1
|
24.5
|
1.0
|
CB
|
A:PRO128
|
4.1
|
19.9
|
1.0
|
CD1
|
A:LEU179
|
4.1
|
27.6
|
1.0
|
O
|
A:HOH442
|
4.3
|
53.2
|
1.0
|
HG3
|
A:PRO177
|
4.4
|
30.1
|
1.0
|
HD13
|
A:LEU179
|
4.4
|
33.1
|
1.0
|
CD2
|
A:LEU179
|
4.6
|
25.4
|
1.0
|
HD12
|
A:LEU179
|
4.7
|
33.1
|
1.0
|
CG
|
A:LEU179
|
4.8
|
24.3
|
1.0
|
CD
|
A:PRO128
|
4.8
|
24.0
|
1.0
|
HD2
|
A:PRO177
|
4.8
|
26.7
|
1.0
|
HG
|
A:LEU179
|
4.8
|
29.1
|
1.0
|
HD22
|
A:LEU179
|
4.9
|
30.5
|
1.0
|
CG1
|
A:ILE64
|
4.9
|
35.0
|
1.0
|
CD
|
A:PRO177
|
5.0
|
22.2
|
1.0
|
|
Iodine binding site 4 out
of 5 in 6dpf
Go back to
Iodine Binding Sites List in 6dpf
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 40 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 40 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:45.2
occ:0.35
|
HD2
|
A:HIS172
|
2.9
|
31.3
|
1.0
|
HE3
|
A:LYS121
|
3.6
|
44.7
|
1.0
|
HE2
|
A:LYS121
|
3.7
|
44.7
|
1.0
|
CD2
|
A:HIS172
|
3.7
|
26.1
|
1.0
|
O
|
A:HOH348
|
3.8
|
49.6
|
1.0
|
O
|
A:HOH409
|
4.0
|
30.1
|
1.0
|
O
|
A:HOH422
|
4.0
|
52.8
|
1.0
|
CE
|
A:LYS121
|
4.1
|
37.3
|
1.0
|
NE2
|
A:HIS172
|
4.2
|
28.9
|
1.0
|
O
|
A:HOH383
|
4.3
|
35.5
|
1.0
|
HD3
|
A:LYS121
|
4.6
|
34.9
|
1.0
|
CD
|
A:LYS121
|
5.0
|
29.1
|
1.0
|
CG
|
A:HIS172
|
5.0
|
21.2
|
1.0
|
HZ1
|
A:LYS121
|
5.0
|
42.8
|
1.0
|
|
Iodine binding site 5 out
of 5 in 6dpf
Go back to
Iodine Binding Sites List in 6dpf
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 40 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 40 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:38.0
occ:0.30
|
O
|
A:HOH391
|
3.1
|
42.2
|
1.0
|
C3'
|
b:G6
|
3.9
|
28.1
|
1.0
|
C2'
|
b:G6
|
4.1
|
32.8
|
1.0
|
O
|
A:ARG195
|
4.2
|
52.4
|
1.0
|
C5'
|
b:G6
|
4.3
|
30.9
|
1.0
|
CB
|
A:ARG195
|
4.3
|
37.8
|
1.0
|
C4'
|
b:G6
|
4.7
|
27.0
|
1.0
|
CG
|
A:ARG195
|
4.8
|
34.9
|
1.0
|
O3'
|
b:G6
|
4.9
|
29.9
|
1.0
|
CD
|
A:ARG195
|
4.9
|
47.5
|
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 23:02:47 2024
|