Iodine in PDB 6dpg: Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
All present enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C:
3.1.26.4;
Protein crystallography data
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C, PDB code: 6dpg
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)
|
19.95 /
1.38
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.645,
37.644,
61.962,
90.00,
96.64,
90.00
|
R / Rfree (%)
|
15.9 /
17.5
|
Other elements in 6dpg:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 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 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
(pdb code 6dpg). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the
Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C, PDB code: 6dpg:
Jump to Iodine binding site number:
1;
2;
3;
Iodine binding site 1 out
of 3 in 6dpg
Go back to
Iodine Binding Sites List in 6dpg
Iodine binding site 1 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 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 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I202
b:23.9
occ:0.40
|
HH
|
A:TYR83
|
2.5
|
33.1
|
1.0
|
HD22
|
A:LEU161
|
3.1
|
39.0
|
1.0
|
HD13
|
A:LEU161
|
3.2
|
33.0
|
1.0
|
HD22
|
A:LEU111
|
3.3
|
28.1
|
1.0
|
OH
|
A:TYR83
|
3.3
|
27.6
|
1.0
|
HD13
|
A:LEU111
|
3.3
|
26.7
|
1.0
|
HB3
|
A:LEU161
|
3.4
|
27.6
|
1.0
|
HE2
|
A:TYR83
|
3.4
|
26.8
|
1.0
|
HD3
|
A:ARG97
|
3.4
|
33.9
|
1.0
|
HB3
|
A:LEU111
|
3.5
|
22.7
|
1.0
|
O
|
A:HOH378
|
3.5
|
30.2
|
1.0
|
HH11
|
A:ARG97
|
3.7
|
43.0
|
1.0
|
O
|
A:HOH326
|
3.8
|
26.4
|
1.0
|
CD2
|
A:LEU161
|
4.1
|
32.5
|
1.0
|
CE2
|
A:TYR83
|
4.1
|
22.3
|
1.0
|
CD1
|
A:LEU161
|
4.1
|
27.5
|
1.0
|
CZ
|
A:TYR83
|
4.2
|
23.1
|
1.0
|
CD2
|
A:LEU111
|
4.2
|
23.4
|
1.0
|
CD1
|
A:LEU111
|
4.2
|
22.3
|
1.0
|
CB
|
A:LEU161
|
4.3
|
23.0
|
1.0
|
NH1
|
A:ARG97
|
4.3
|
35.8
|
1.0
|
O
|
A:HOH336
|
4.3
|
41.2
|
1.0
|
CB
|
A:LEU111
|
4.4
|
18.9
|
1.0
|
CG
|
A:LEU161
|
4.4
|
26.6
|
1.0
|
CD
|
A:ARG97
|
4.4
|
28.2
|
1.0
|
HG2
|
A:ARG97
|
4.4
|
28.4
|
1.0
|
CG
|
A:LEU111
|
4.5
|
18.7
|
1.0
|
HD21
|
A:LEU161
|
4.6
|
39.0
|
1.0
|
HH12
|
A:ARG97
|
4.6
|
43.0
|
1.0
|
O
|
A:HOH427
|
4.6
|
53.4
|
1.0
|
HD11
|
A:LEU161
|
4.6
|
33.0
|
1.0
|
HD23
|
A:LEU161
|
4.6
|
39.0
|
1.0
|
HD21
|
A:LEU111
|
4.7
|
28.1
|
1.0
|
HD11
|
A:LEU111
|
4.7
|
26.7
|
1.0
|
HB2
|
A:HIS115
|
4.7
|
24.5
|
1.0
|
HD12
|
A:LEU161
|
4.7
|
33.0
|
1.0
|
HD11
|
A:ILE100
|
4.7
|
33.6
|
1.0
|
HB2
|
A:LEU161
|
4.8
|
27.6
|
1.0
|
HD23
|
A:LEU111
|
4.8
|
28.1
|
1.0
|
HD12
|
A:LEU111
|
4.8
|
26.7
|
1.0
|
O
|
A:HOH387
|
4.8
|
29.1
|
1.0
|
HB2
|
A:LEU111
|
4.9
|
22.7
|
1.0
|
HD2
|
A:ARG97
|
4.9
|
33.9
|
1.0
|
CG
|
A:ARG97
|
4.9
|
23.6
|
1.0
|
CZ
|
A:ARG97
|
5.0
|
31.9
|
1.0
|
HB2
|
A:ARG97
|
5.0
|
24.0
|
1.0
|
|
Iodine binding site 2 out
of 3 in 6dpg
Go back to
Iodine Binding Sites List in 6dpg
Iodine binding site 2 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 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 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I203
b:41.4
occ:0.40
|
HD3
|
A:LYS180
|
3.2
|
36.5
|
1.0
|
O
|
A:HOH363
|
3.2
|
29.3
|
1.0
|
HG3
|
A:GLN134
|
3.2
|
33.8
|
1.0
|
O
|
A:HOH433
|
3.2
|
42.9
|
1.0
|
HB2
|
A:LYS180
|
3.3
|
28.8
|
1.0
|
HA
|
A:GLN134
|
3.4
|
26.6
|
1.0
|
O
|
A:HOH356
|
3.7
|
34.3
|
1.0
|
HD12
|
A:ILE137
|
3.7
|
27.9
|
1.0
|
HG2
|
A:LYS180
|
3.9
|
33.9
|
1.0
|
CD
|
A:LYS180
|
4.1
|
30.4
|
1.0
|
HG21
|
A:ILE137
|
4.1
|
27.2
|
1.0
|
HD13
|
A:ILE137
|
4.1
|
27.9
|
1.0
|
CB
|
A:LYS180
|
4.1
|
24.0
|
1.0
|
CG
|
A:GLN134
|
4.1
|
28.1
|
1.0
|
HB
|
A:ILE137
|
4.2
|
24.9
|
1.0
|
HB2
|
A:GLN134
|
4.2
|
30.9
|
1.0
|
CA
|
A:GLN134
|
4.2
|
22.2
|
1.0
|
CG
|
A:LYS180
|
4.3
|
28.3
|
1.0
|
CD1
|
A:ILE137
|
4.4
|
23.3
|
1.0
|
CB
|
A:GLN134
|
4.4
|
25.8
|
1.0
|
O
|
A:HOH429
|
4.5
|
48.3
|
1.0
|
HE21
|
A:GLN134
|
4.5
|
44.1
|
1.0
|
HB3
|
A:LYS180
|
4.6
|
28.8
|
1.0
|
HE3
|
A:LYS180
|
4.6
|
42.2
|
1.0
|
HG2
|
A:GLN134
|
4.7
|
33.8
|
1.0
|
HE2
|
A:LYS180
|
4.7
|
42.2
|
1.0
|
CE
|
A:LYS180
|
4.8
|
35.1
|
1.0
|
HD2
|
A:LYS180
|
4.8
|
36.5
|
1.0
|
CG2
|
A:ILE137
|
4.8
|
22.7
|
1.0
|
HG22
|
A:ILE137
|
4.8
|
27.2
|
1.0
|
CB
|
A:ILE137
|
4.9
|
20.7
|
1.0
|
O
|
A:GLN134
|
4.9
|
21.9
|
1.0
|
|
Iodine binding site 3 out
of 3 in 6dpg
Go back to
Iodine Binding Sites List in 6dpg
Iodine binding site 3 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 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 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I204
b:36.4
occ:0.25
|
O
|
A:HOH438
|
2.9
|
45.6
|
1.0
|
O
|
A:HOH436
|
2.9
|
36.8
|
1.0
|
HD13
|
A:ILE64
|
3.0
|
52.9
|
1.0
|
HG2
|
A:PRO177
|
3.1
|
26.0
|
1.0
|
HD11
|
A:LEU179
|
3.2
|
30.6
|
1.0
|
HG3
|
A:PRO128
|
3.3
|
30.8
|
1.0
|
HB3
|
A:PRO128
|
3.5
|
25.6
|
1.0
|
HB2
|
A:PRO177
|
3.6
|
27.1
|
1.0
|
CD1
|
A:ILE64
|
3.7
|
44.0
|
1.0
|
HD11
|
A:ILE64
|
3.7
|
52.9
|
1.0
|
HD21
|
A:LEU179
|
3.8
|
32.8
|
1.0
|
HD12
|
A:ILE64
|
3.8
|
52.9
|
1.0
|
CG
|
A:PRO177
|
3.9
|
21.7
|
1.0
|
HB3
|
A:PRO177
|
4.0
|
27.1
|
1.0
|
O
|
A:HOH439
|
4.0
|
46.0
|
1.0
|
CB
|
A:PRO177
|
4.0
|
22.6
|
1.0
|
CG
|
A:PRO128
|
4.1
|
25.6
|
1.0
|
CD1
|
A:LEU179
|
4.1
|
25.5
|
1.0
|
CB
|
A:PRO128
|
4.2
|
21.4
|
1.0
|
HG21
|
A:ILE64
|
4.3
|
35.8
|
1.0
|
HG3
|
A:PRO177
|
4.3
|
26.0
|
1.0
|
HD3
|
A:PRO128
|
4.4
|
26.7
|
1.0
|
HD13
|
A:LEU179
|
4.4
|
30.6
|
1.0
|
HB2
|
A:PRO128
|
4.5
|
25.6
|
1.0
|
CD2
|
A:LEU179
|
4.6
|
27.4
|
1.0
|
HD12
|
A:LEU179
|
4.7
|
30.6
|
1.0
|
CD
|
A:PRO128
|
4.8
|
22.2
|
1.0
|
CG
|
A:LEU179
|
4.8
|
24.0
|
1.0
|
HG2
|
A:PRO128
|
4.8
|
30.8
|
1.0
|
HG
|
A:LEU179
|
4.8
|
28.9
|
1.0
|
HD22
|
A:LEU179
|
4.9
|
32.8
|
1.0
|
HD2
|
A:PRO177
|
4.9
|
26.7
|
1.0
|
O
|
A:HOH437
|
5.0
|
46.2
|
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 23:02:49 2024
|