Iodine in PDB 6dpo: Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C
Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 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 2 Mm MG2+ and 200 Mm K+ For 360 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 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C, PDB code: 6dpo
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)
|
19.83 /
1.45
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.296,
38.002,
61.869,
90.00,
96.06,
90.00
|
R / Rfree (%)
|
15.9 /
18.6
|
Other elements in 6dpo:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 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 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C
(pdb code 6dpo). 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 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C, PDB code: 6dpo:
Jump to Iodine binding site number:
1;
2;
3;
4;
Iodine binding site 1 out
of 4 in 6dpo
Go back to
Iodine Binding Sites List in 6dpo
Iodine binding site 1 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 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 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I203
b:24.3
occ:0.40
|
HH
|
A:TYR83
|
2.4
|
35.5
|
1.0
|
HD13
|
A:LEU161
|
3.1
|
39.8
|
1.0
|
HD22
|
A:LEU161
|
3.2
|
35.7
|
1.0
|
OH
|
A:TYR83
|
3.3
|
29.6
|
1.0
|
HD13
|
A:LEU111
|
3.4
|
23.8
|
1.0
|
HB3
|
A:LEU161
|
3.4
|
26.5
|
1.0
|
HE2
|
A:TYR83
|
3.4
|
25.8
|
1.0
|
C3
|
A:GOL212
|
3.4
|
70.2
|
1.0
|
HD22
|
A:LEU111
|
3.5
|
23.8
|
1.0
|
HD3
|
A:ARG97
|
3.5
|
31.7
|
1.0
|
HB3
|
A:LEU111
|
3.5
|
20.7
|
1.0
|
C1
|
A:GOL212
|
3.6
|
25.2
|
1.0
|
HH11
|
A:ARG97
|
3.8
|
51.2
|
1.0
|
O
|
A:HOH350
|
3.8
|
23.6
|
1.0
|
CD1
|
A:LEU161
|
4.0
|
33.1
|
1.0
|
CD2
|
A:LEU161
|
4.1
|
29.7
|
1.0
|
CE2
|
A:TYR83
|
4.1
|
21.5
|
1.0
|
C2
|
A:GOL212
|
4.1
|
76.2
|
1.0
|
CZ
|
A:TYR83
|
4.1
|
21.0
|
1.0
|
CB
|
A:LEU161
|
4.3
|
22.1
|
1.0
|
CD1
|
A:LEU111
|
4.3
|
19.8
|
1.0
|
NH1
|
A:ARG97
|
4.3
|
42.7
|
1.0
|
O1
|
A:GOL212
|
4.3
|
88.4
|
1.0
|
CG
|
A:LEU161
|
4.3
|
26.4
|
1.0
|
CD2
|
A:LEU111
|
4.3
|
19.8
|
1.0
|
HG2
|
A:ARG97
|
4.3
|
26.6
|
1.0
|
O3
|
A:GOL212
|
4.4
|
37.5
|
1.0
|
CB
|
A:LEU111
|
4.4
|
17.2
|
1.0
|
CD
|
A:ARG97
|
4.4
|
26.4
|
1.0
|
HD11
|
A:LEU161
|
4.4
|
39.8
|
1.0
|
HD21
|
A:LEU161
|
4.5
|
35.7
|
1.0
|
CG
|
A:LEU111
|
4.5
|
19.4
|
1.0
|
HD12
|
A:LEU161
|
4.6
|
39.8
|
1.0
|
HH12
|
A:ARG97
|
4.6
|
51.2
|
1.0
|
HD11
|
A:ILE100
|
4.7
|
30.9
|
1.0
|
HD23
|
A:LEU161
|
4.7
|
35.7
|
1.0
|
HD11
|
A:LEU111
|
4.7
|
23.8
|
1.0
|
HB2
|
A:LEU161
|
4.7
|
26.5
|
1.0
|
HD21
|
A:LEU111
|
4.8
|
23.8
|
1.0
|
HD12
|
A:LEU111
|
4.8
|
23.8
|
1.0
|
CG
|
A:ARG97
|
4.9
|
22.2
|
1.0
|
HB2
|
A:LEU111
|
4.9
|
20.7
|
1.0
|
CZ
|
A:ARG97
|
4.9
|
34.2
|
1.0
|
O2
|
A:GOL212
|
4.9
|
25.9
|
1.0
|
HD23
|
A:LEU111
|
4.9
|
23.8
|
1.0
|
NE
|
A:ARG97
|
5.0
|
30.1
|
1.0
|
|
Iodine binding site 2 out
of 4 in 6dpo
Go back to
Iodine Binding Sites List in 6dpo
Iodine binding site 2 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 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 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I204
b:38.6
occ:0.40
|
O
|
A:HOH436
|
3.0
|
41.9
|
1.0
|
HG3
|
A:GLN134
|
3.1
|
37.2
|
1.0
|
O
|
A:HOH342
|
3.2
|
28.7
|
1.0
|
HD3
|
A:LYS180
|
3.2
|
33.2
|
1.0
|
HB2
|
A:LYS180
|
3.2
|
29.2
|
1.0
|
HA
|
A:GLN134
|
3.3
|
25.8
|
1.0
|
O
|
A:HOH320
|
3.6
|
36.2
|
1.0
|
HD12
|
A:ILE137
|
3.8
|
27.7
|
1.0
|
HG2
|
A:LYS180
|
3.8
|
33.2
|
1.0
|
O
|
A:HOH434
|
3.8
|
58.2
|
1.0
|
HG21
|
A:ILE137
|
4.0
|
29.0
|
1.0
|
CG
|
A:GLN134
|
4.0
|
31.0
|
1.0
|
CD
|
A:LYS180
|
4.0
|
27.6
|
1.0
|
CB
|
A:LYS180
|
4.1
|
24.4
|
1.0
|
HD13
|
A:ILE137
|
4.1
|
27.7
|
1.0
|
CG
|
A:LYS180
|
4.2
|
27.7
|
1.0
|
CA
|
A:GLN134
|
4.2
|
21.5
|
1.0
|
HB
|
A:ILE137
|
4.2
|
22.0
|
1.0
|
HE3
|
A:LYS180
|
4.4
|
35.6
|
1.0
|
HG2
|
A:GLN134
|
4.4
|
37.2
|
1.0
|
HB2
|
A:GLN134
|
4.4
|
29.9
|
1.0
|
CD1
|
A:ILE137
|
4.4
|
23.1
|
1.0
|
CB
|
A:GLN134
|
4.4
|
24.9
|
1.0
|
HB3
|
A:LYS180
|
4.5
|
29.2
|
1.0
|
HE21
|
A:GLN134
|
4.5
|
43.0
|
1.0
|
O
|
A:HOH430
|
4.6
|
46.3
|
1.0
|
CG2
|
A:ILE137
|
4.7
|
24.2
|
1.0
|
CE
|
A:LYS180
|
4.7
|
29.7
|
1.0
|
HD2
|
A:LYS180
|
4.8
|
33.2
|
1.0
|
HG22
|
A:ILE137
|
4.8
|
29.0
|
1.0
|
O
|
A:GLN134
|
4.8
|
24.6
|
1.0
|
CB
|
A:ILE137
|
4.9
|
18.3
|
1.0
|
HE2
|
A:LYS180
|
4.9
|
35.6
|
1.0
|
|
Iodine binding site 3 out
of 4 in 6dpo
Go back to
Iodine Binding Sites List in 6dpo
Iodine binding site 3 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 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 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I205
b:33.8
occ:0.25
|
HD13
|
A:ILE64
|
2.8
|
62.8
|
1.0
|
O
|
A:HOH438
|
2.9
|
42.4
|
1.0
|
HD11
|
A:LEU179
|
3.1
|
30.7
|
1.0
|
HG3
|
A:PRO128
|
3.3
|
35.5
|
1.0
|
CD1
|
A:ILE64
|
3.5
|
52.4
|
1.0
|
HB3
|
A:PRO128
|
3.5
|
28.8
|
1.0
|
HD11
|
A:ILE64
|
3.5
|
62.8
|
1.0
|
HD12
|
A:ILE64
|
3.6
|
62.8
|
1.0
|
HD21
|
A:LEU179
|
3.8
|
33.6
|
1.0
|
CG
|
A:PRO177
|
4.0
|
22.2
|
1.0
|
CB
|
A:PRO177
|
4.0
|
22.2
|
1.0
|
CD1
|
A:LEU179
|
4.1
|
25.6
|
1.0
|
CG
|
A:PRO128
|
4.1
|
29.6
|
1.0
|
HG21
|
A:ILE64
|
4.1
|
29.8
|
1.0
|
CB
|
A:PRO128
|
4.2
|
24.0
|
1.0
|
HD13
|
A:LEU179
|
4.4
|
30.7
|
1.0
|
HD3
|
A:PRO128
|
4.5
|
21.4
|
1.0
|
O
|
A:HOH439
|
4.5
|
55.1
|
0.8
|
HB2
|
A:PRO128
|
4.5
|
28.8
|
1.0
|
HD12
|
A:LEU179
|
4.6
|
30.7
|
1.0
|
CD2
|
A:LEU179
|
4.6
|
28.0
|
1.0
|
HG2
|
A:PRO128
|
4.7
|
35.5
|
1.0
|
CG
|
A:LEU179
|
4.8
|
23.9
|
1.0
|
HG
|
A:LEU179
|
4.8
|
28.7
|
1.0
|
CG1
|
A:ILE64
|
4.8
|
36.2
|
1.0
|
CD
|
A:PRO128
|
4.9
|
17.8
|
1.0
|
HD22
|
A:LEU179
|
4.9
|
33.6
|
1.0
|
O
|
A:HOH399
|
4.9
|
37.8
|
1.0
|
|
Iodine binding site 4 out
of 4 in 6dpo
Go back to
Iodine Binding Sites List in 6dpo
Iodine binding site 4 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 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 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I206
b:47.2
occ:0.30
|
HD2
|
A:HIS172
|
2.9
|
27.7
|
1.0
|
O
|
A:HOH420
|
3.0
|
55.4
|
1.0
|
HE3
|
A:LYS121
|
3.6
|
43.0
|
1.0
|
CD2
|
A:HIS172
|
3.7
|
23.1
|
1.0
|
O
|
A:HOH331
|
3.7
|
42.6
|
1.0
|
O
|
A:HOH423
|
3.8
|
47.7
|
1.0
|
HE2
|
A:LYS121
|
3.8
|
43.0
|
1.0
|
NE2
|
A:HIS172
|
4.0
|
28.1
|
1.0
|
O
|
A:HOH398
|
4.0
|
44.0
|
1.0
|
CE
|
A:LYS121
|
4.2
|
35.9
|
1.0
|
O
|
A:HOH379
|
4.2
|
41.5
|
1.0
|
HD3
|
A:LYS121
|
4.7
|
33.1
|
1.0
|
CG
|
A:HIS172
|
4.9
|
20.2
|
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 23:04:40 2024
|