Iodine in PDB 6dmn: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C
Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C
All present enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C, PDB code: 6dmn
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)
|
19.86 /
1.27
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.465,
37.681,
62.022,
90.00,
95.93,
90.00
|
R / Rfree (%)
|
15 /
17.1
|
Other elements in 6dmn:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C
(pdb code 6dmn). 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C, PDB code: 6dmn:
Jump to Iodine binding site number:
1;
2;
3;
4;
Iodine binding site 1 out
of 4 in 6dmn
Go back to
Iodine Binding Sites List in 6dmn
Iodine binding site 1 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I203
b:16.0
occ:0.35
|
HH
|
A:TYR83
|
2.5
|
28.4
|
1.0
|
HD22
|
A:LEU161
|
3.2
|
32.0
|
1.0
|
HD13
|
A:LEU161
|
3.2
|
29.6
|
1.0
|
O
|
A:HOH348
|
3.3
|
39.5
|
1.0
|
OH
|
A:TYR83
|
3.4
|
23.7
|
1.0
|
HD22
|
A:LEU111
|
3.4
|
18.0
|
1.0
|
HE2
|
A:TYR83
|
3.4
|
22.9
|
1.0
|
HB3
|
A:LEU161
|
3.4
|
22.7
|
1.0
|
HD13
|
A:LEU111
|
3.4
|
20.5
|
1.0
|
O
|
A:HOH402
|
3.5
|
30.2
|
1.0
|
HD3
|
A:ARG97
|
3.5
|
27.9
|
1.0
|
HB3
|
A:LEU111
|
3.6
|
16.9
|
1.0
|
O
|
A:HOH353
|
3.7
|
20.4
|
1.0
|
HH11
|
A:ARG97
|
3.8
|
36.6
|
1.0
|
CD2
|
A:LEU161
|
4.1
|
26.7
|
1.0
|
CE2
|
A:TYR83
|
4.1
|
19.1
|
1.0
|
CD1
|
A:LEU161
|
4.1
|
24.7
|
1.0
|
O
|
A:HOH329
|
4.2
|
41.8
|
1.0
|
CZ
|
A:TYR83
|
4.2
|
18.7
|
1.0
|
CB
|
A:LEU161
|
4.2
|
18.9
|
1.0
|
CD2
|
A:LEU111
|
4.3
|
15.0
|
1.0
|
CD1
|
A:LEU111
|
4.3
|
17.1
|
1.0
|
NH1
|
A:ARG97
|
4.3
|
30.5
|
1.0
|
CG
|
A:LEU161
|
4.3
|
22.4
|
1.0
|
HG2
|
A:ARG97
|
4.4
|
23.1
|
1.0
|
CD
|
A:ARG97
|
4.4
|
23.3
|
1.0
|
CB
|
A:LEU111
|
4.4
|
14.1
|
1.0
|
HD21
|
A:LEU161
|
4.5
|
32.0
|
1.0
|
CG
|
A:LEU111
|
4.6
|
14.6
|
1.0
|
HD11
|
A:LEU161
|
4.6
|
29.6
|
1.0
|
HH12
|
A:ARG97
|
4.6
|
36.6
|
1.0
|
HD23
|
A:LEU161
|
4.6
|
32.0
|
1.0
|
HD11
|
A:ILE100
|
4.7
|
25.5
|
1.0
|
HB2
|
A:HIS115
|
4.7
|
17.7
|
1.0
|
HD21
|
A:LEU111
|
4.7
|
18.0
|
1.0
|
HD12
|
A:LEU161
|
4.7
|
29.6
|
1.0
|
HD11
|
A:LEU111
|
4.8
|
20.5
|
1.0
|
HB2
|
A:LEU161
|
4.8
|
22.7
|
1.0
|
HD23
|
A:LEU111
|
4.8
|
18.0
|
1.0
|
HD12
|
A:LEU111
|
4.9
|
20.5
|
1.0
|
O
|
A:HOH376
|
4.9
|
22.1
|
1.0
|
HB2
|
A:LEU111
|
4.9
|
16.9
|
1.0
|
CG
|
A:ARG97
|
4.9
|
19.3
|
1.0
|
CZ
|
A:ARG97
|
5.0
|
25.8
|
1.0
|
NE
|
A:ARG97
|
5.0
|
24.7
|
1.0
|
HD2
|
A:ARG97
|
5.0
|
27.9
|
1.0
|
O
|
A:HOH337
|
5.0
|
23.3
|
1.0
|
|
Iodine binding site 2 out
of 4 in 6dmn
Go back to
Iodine Binding Sites List in 6dmn
Iodine binding site 2 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I204
b:28.8
occ:0.35
|
O
|
A:HOH432
|
3.1
|
54.4
|
1.0
|
O
|
A:HOH354
|
3.2
|
25.9
|
1.0
|
HD3
|
A:LYS180
|
3.2
|
25.6
|
1.0
|
HA
|
A:GLN134
|
3.3
|
23.1
|
1.0
|
HB2
|
A:LYS180
|
3.3
|
23.5
|
1.0
|
HG3
|
A:GLN134
|
3.3
|
35.9
|
1.0
|
O
|
A:HOH324
|
3.4
|
36.8
|
1.0
|
HD12
|
A:ILE137
|
3.7
|
21.1
|
1.0
|
HG2
|
A:LYS180
|
3.8
|
26.4
|
1.0
|
CD
|
A:LYS180
|
4.0
|
21.3
|
1.0
|
HG21
|
A:ILE137
|
4.1
|
24.1
|
1.0
|
CB
|
A:LYS180
|
4.1
|
19.6
|
1.0
|
HD13
|
A:ILE137
|
4.1
|
21.1
|
1.0
|
HB2
|
A:GLN134
|
4.2
|
27.4
|
1.0
|
CG
|
A:LYS180
|
4.2
|
22.0
|
1.0
|
CA
|
A:GLN134
|
4.2
|
19.2
|
1.0
|
HB
|
A:ILE137
|
4.2
|
18.6
|
1.0
|
CG
|
A:GLN134
|
4.2
|
29.9
|
1.0
|
HE3
|
A:LYS180
|
4.4
|
26.9
|
1.0
|
CB
|
A:GLN134
|
4.4
|
22.8
|
1.0
|
CD1
|
A:ILE137
|
4.4
|
17.6
|
1.0
|
HE21
|
A:GLN134
|
4.4
|
37.1
|
1.0
|
O
|
C:HOH219
|
4.5
|
41.5
|
1.0
|
HB3
|
A:LYS180
|
4.5
|
23.5
|
1.0
|
CE
|
A:LYS180
|
4.7
|
22.4
|
1.0
|
HD2
|
A:LYS180
|
4.7
|
25.6
|
1.0
|
CG2
|
A:ILE137
|
4.8
|
20.1
|
1.0
|
HG2
|
A:GLN134
|
4.8
|
35.9
|
1.0
|
HE2
|
A:LYS180
|
4.8
|
26.9
|
1.0
|
HG22
|
A:ILE137
|
4.9
|
24.1
|
1.0
|
CB
|
A:ILE137
|
4.9
|
15.5
|
1.0
|
O
|
A:GLN134
|
4.9
|
18.8
|
1.0
|
|
Iodine binding site 3 out
of 4 in 6dmn
Go back to
Iodine Binding Sites List in 6dmn
Iodine binding site 3 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I205
b:33.3
occ:0.25
|
HD13
|
A:ILE64
|
2.9
|
60.4
|
1.0
|
HD11
|
A:LEU179
|
3.1
|
23.6
|
1.0
|
HG2
|
A:PRO177
|
3.1
|
24.7
|
1.0
|
HG3
|
A:PRO128
|
3.2
|
25.8
|
1.0
|
HD12
|
A:ILE64
|
3.3
|
60.4
|
1.0
|
CD1
|
A:ILE64
|
3.4
|
50.4
|
1.0
|
HD11
|
A:ILE64
|
3.5
|
60.4
|
1.0
|
HB2
|
A:PRO177
|
3.6
|
22.5
|
1.0
|
HB3
|
A:PRO128
|
3.6
|
20.1
|
1.0
|
HD21
|
A:LEU179
|
3.7
|
27.2
|
1.0
|
CG
|
A:PRO177
|
3.9
|
20.6
|
1.0
|
HB3
|
A:PRO177
|
4.0
|
22.5
|
1.0
|
CB
|
A:PRO177
|
4.0
|
18.8
|
1.0
|
CD1
|
A:LEU179
|
4.1
|
19.7
|
1.0
|
CG
|
A:PRO128
|
4.1
|
21.5
|
1.0
|
HG21
|
A:ILE64
|
4.2
|
31.6
|
1.0
|
CB
|
A:PRO128
|
4.3
|
16.7
|
1.0
|
HD13
|
A:LEU179
|
4.3
|
23.6
|
1.0
|
HG3
|
A:PRO177
|
4.4
|
24.7
|
1.0
|
HD3
|
A:PRO128
|
4.5
|
18.7
|
1.0
|
CD2
|
A:LEU179
|
4.5
|
22.7
|
1.0
|
HD12
|
A:LEU179
|
4.6
|
23.6
|
1.0
|
HB2
|
A:PRO128
|
4.7
|
20.1
|
1.0
|
HG2
|
A:PRO128
|
4.7
|
25.8
|
1.0
|
HD22
|
A:LEU179
|
4.8
|
27.2
|
1.0
|
CG
|
A:LEU179
|
4.8
|
18.7
|
1.0
|
CG1
|
A:ILE64
|
4.8
|
36.8
|
1.0
|
HG
|
A:LEU179
|
4.8
|
22.5
|
1.0
|
CD
|
A:PRO128
|
4.9
|
15.6
|
1.0
|
O
|
A:HOH435
|
4.9
|
46.2
|
1.0
|
HD2
|
A:PRO177
|
4.9
|
21.9
|
1.0
|
|
Iodine binding site 4 out
of 4 in 6dmn
Go back to
Iodine Binding Sites List in 6dmn
Iodine binding site 4 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I206
b:44.1
occ:0.35
|
HE3
|
A:LYS121
|
3.4
|
30.0
|
1.0
|
O
|
A:HOH315
|
3.5
|
53.7
|
1.0
|
HE2
|
A:LYS121
|
3.6
|
30.0
|
1.0
|
CD2
|
A:HIS172
|
3.7
|
20.3
|
1.0
|
CE
|
A:LYS121
|
4.0
|
25.0
|
1.0
|
NE2
|
A:HIS172
|
4.1
|
25.0
|
1.0
|
O
|
A:HOH389
|
4.4
|
44.8
|
1.0
|
HD3
|
A:LYS121
|
4.6
|
27.7
|
1.0
|
HZ1
|
A:LYS121
|
4.8
|
29.1
|
1.0
|
CD
|
A:LYS121
|
4.9
|
23.1
|
1.0
|
CG
|
A:HIS172
|
4.9
|
17.6
|
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 22:51:28 2024
|