Iodine in PDB 6dph: Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MN2+ and 200 Mm K+ For 120 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 MN2+ and 200 Mm K+ For 120 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 MN2+ and 200 Mm K+ For 120 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 MN2+ and 200 Mm K+ For 120 S at 21 C, PDB code: 6dph
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)
|
23.20 /
1.34
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.867,
37.063,
61.789,
90.00,
96.33,
90.00
|
R / Rfree (%)
|
16 /
19.2
|
Other elements in 6dph:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MN2+ and 200 Mm K+ For 120 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 MN2+ and 200 Mm K+ For 120 S at 21 C
(pdb code 6dph). 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 MN2+ and 200 Mm K+ For 120 S at 21 C, PDB code: 6dph:
Jump to Iodine binding site number:
1;
2;
3;
4;
Iodine binding site 1 out
of 4 in 6dph
Go back to
Iodine Binding Sites List in 6dph
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 MN2+ and 200 Mm K+ For 120 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 MN2+ and 200 Mm K+ For 120 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I205
b:16.5
occ:0.50
|
HH
|
A:TYR83
|
2.5
|
27.3
|
1.0
|
HD22
|
A:LEU161
|
3.2
|
29.5
|
1.0
|
HD13
|
A:LEU161
|
3.2
|
39.7
|
1.0
|
HD3
|
A:ARG97
|
3.3
|
33.3
|
1.0
|
HD22
|
A:LEU111
|
3.3
|
21.0
|
1.0
|
HB3
|
A:LEU161
|
3.3
|
24.2
|
1.0
|
OH
|
A:TYR83
|
3.3
|
22.8
|
1.0
|
HE2
|
A:TYR83
|
3.4
|
22.2
|
1.0
|
HB3
|
A:LEU111
|
3.4
|
18.0
|
1.0
|
O
|
A:HOH377
|
3.5
|
22.9
|
1.0
|
HD13
|
A:LEU111
|
3.5
|
20.6
|
1.0
|
O
|
A:HOH364
|
3.6
|
19.2
|
1.0
|
HH11
|
A:ARG97
|
3.7
|
37.3
|
1.0
|
CD2
|
A:LEU161
|
4.1
|
24.6
|
1.0
|
CE2
|
A:TYR83
|
4.1
|
18.5
|
1.0
|
CD1
|
A:LEU161
|
4.1
|
33.1
|
1.0
|
CZ
|
A:TYR83
|
4.2
|
19.4
|
1.0
|
CB
|
A:LEU161
|
4.2
|
20.2
|
1.0
|
CD2
|
A:LEU111
|
4.2
|
17.5
|
1.0
|
O
|
A:HOH332
|
4.2
|
30.0
|
1.0
|
CD
|
A:ARG97
|
4.3
|
27.8
|
1.0
|
NH1
|
A:ARG97
|
4.3
|
31.1
|
1.0
|
CB
|
A:LEU111
|
4.3
|
15.0
|
1.0
|
CD1
|
A:LEU111
|
4.3
|
17.1
|
1.0
|
CG
|
A:LEU161
|
4.4
|
24.3
|
1.0
|
HG2
|
A:ARG97
|
4.4
|
22.5
|
1.0
|
CG
|
A:LEU111
|
4.5
|
16.0
|
1.0
|
HB2
|
A:HIS115
|
4.5
|
18.2
|
1.0
|
HD21
|
A:LEU161
|
4.6
|
29.5
|
1.0
|
HD11
|
A:LEU161
|
4.6
|
39.7
|
1.0
|
HH12
|
A:ARG97
|
4.6
|
37.3
|
1.0
|
HD23
|
A:LEU161
|
4.6
|
29.5
|
1.0
|
HD11
|
A:ILE100
|
4.7
|
25.9
|
1.0
|
HB2
|
A:LEU161
|
4.7
|
24.2
|
1.0
|
HD12
|
A:LEU161
|
4.7
|
39.7
|
1.0
|
HD21
|
A:LEU111
|
4.7
|
21.0
|
1.0
|
HD23
|
A:LEU111
|
4.7
|
21.0
|
1.0
|
HD2
|
A:ARG97
|
4.8
|
33.3
|
1.0
|
O
|
A:HOH403
|
4.8
|
21.9
|
1.0
|
HB2
|
A:LEU111
|
4.8
|
18.0
|
1.0
|
O
|
A:HOH338
|
4.8
|
45.7
|
1.0
|
HD11
|
A:LEU111
|
4.9
|
20.6
|
1.0
|
CG
|
A:ARG97
|
4.9
|
18.7
|
1.0
|
NE
|
A:ARG97
|
4.9
|
26.1
|
1.0
|
CZ
|
A:ARG97
|
4.9
|
28.3
|
1.0
|
HD12
|
A:LEU111
|
4.9
|
20.6
|
1.0
|
O
|
A:HOH344
|
5.0
|
25.4
|
1.0
|
|
Iodine binding site 2 out
of 4 in 6dph
Go back to
Iodine Binding Sites List in 6dph
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 MN2+ and 200 Mm K+ For 120 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 MN2+ and 200 Mm K+ For 120 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I206
b:38.2
occ:0.40
|
HD3
|
A:LYS180
|
3.1
|
27.3
|
1.0
|
HB2
|
A:LYS180
|
3.1
|
25.4
|
1.0
|
HA
|
A:GLN134
|
3.2
|
24.7
|
1.0
|
O
|
A:HOH348
|
3.2
|
24.2
|
1.0
|
HG3
|
A:GLN134
|
3.2
|
31.5
|
1.0
|
O
|
A:HOH457
|
3.3
|
39.5
|
1.0
|
HD12
|
A:ILE137
|
3.7
|
22.8
|
1.0
|
HG2
|
A:LYS180
|
3.7
|
27.2
|
1.0
|
O
|
A:HOH322
|
3.7
|
32.4
|
1.0
|
CD
|
A:LYS180
|
3.9
|
22.7
|
1.0
|
CB
|
A:LYS180
|
3.9
|
21.2
|
1.0
|
HG21
|
A:ILE137
|
4.0
|
23.3
|
1.0
|
CG
|
A:LYS180
|
4.0
|
22.7
|
1.0
|
HD13
|
A:ILE137
|
4.1
|
22.8
|
1.0
|
HB
|
A:ILE137
|
4.1
|
20.8
|
1.0
|
CA
|
A:GLN134
|
4.1
|
20.6
|
1.0
|
CG
|
A:GLN134
|
4.1
|
26.2
|
1.0
|
O
|
A:HOH450
|
4.3
|
37.6
|
1.0
|
HB3
|
A:LYS180
|
4.3
|
25.4
|
1.0
|
CD1
|
A:ILE137
|
4.3
|
19.0
|
1.0
|
HB2
|
A:GLN134
|
4.4
|
26.6
|
1.0
|
HE3
|
A:LYS180
|
4.4
|
29.0
|
1.0
|
CB
|
A:GLN134
|
4.4
|
22.1
|
1.0
|
HG2
|
A:GLN134
|
4.6
|
31.5
|
1.0
|
HD2
|
A:LYS180
|
4.6
|
27.3
|
1.0
|
HE21
|
A:GLN134
|
4.6
|
35.0
|
1.0
|
CE
|
A:LYS180
|
4.6
|
24.2
|
1.0
|
CG2
|
A:ILE137
|
4.7
|
19.4
|
1.0
|
O
|
A:GLN134
|
4.8
|
20.9
|
1.0
|
CB
|
A:ILE137
|
4.8
|
17.3
|
1.0
|
HE2
|
A:LYS180
|
4.8
|
29.0
|
1.0
|
HG22
|
A:ILE137
|
4.8
|
23.3
|
1.0
|
C
|
A:GLN134
|
5.0
|
18.3
|
1.0
|
N
|
A:GLN134
|
5.0
|
18.7
|
1.0
|
HG3
|
A:LYS180
|
5.0
|
27.2
|
1.0
|
HA
|
A:LYS180
|
5.0
|
20.5
|
1.0
|
|
Iodine binding site 3 out
of 4 in 6dph
Go back to
Iodine Binding Sites List in 6dph
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 MN2+ and 200 Mm K+ For 120 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 MN2+ and 200 Mm K+ For 120 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I207
b:33.0
occ:0.30
|
O
|
A:HOH465
|
2.9
|
40.7
|
1.0
|
O
|
A:HOH459
|
3.0
|
36.8
|
1.0
|
HD11
|
A:LEU179
|
3.1
|
24.8
|
1.0
|
HG3
|
A:PRO128
|
3.2
|
23.9
|
1.0
|
HB3
|
A:PRO128
|
3.4
|
20.3
|
1.0
|
CD1
|
A:ILE64
|
3.6
|
33.2
|
1.0
|
HD21
|
A:LEU179
|
3.7
|
27.3
|
1.0
|
CG
|
A:PRO177
|
3.9
|
17.2
|
1.0
|
CB
|
A:PRO177
|
3.9
|
16.8
|
1.0
|
CG
|
A:PRO128
|
4.0
|
19.9
|
1.0
|
CD1
|
A:LEU179
|
4.0
|
20.7
|
1.0
|
CB
|
A:PRO128
|
4.1
|
16.9
|
1.0
|
O
|
A:HOH464
|
4.2
|
49.5
|
1.0
|
HD3
|
A:PRO128
|
4.3
|
20.7
|
1.0
|
HD13
|
A:LEU179
|
4.3
|
24.8
|
1.0
|
O
|
A:HOH466
|
4.4
|
55.5
|
1.0
|
HB2
|
A:PRO128
|
4.4
|
20.3
|
1.0
|
CD2
|
A:LEU179
|
4.5
|
22.8
|
1.0
|
HD12
|
A:LEU179
|
4.5
|
24.8
|
1.0
|
HG2
|
A:PRO128
|
4.7
|
23.9
|
1.0
|
CG
|
A:LEU179
|
4.7
|
19.3
|
1.0
|
HG
|
A:LEU179
|
4.7
|
23.2
|
1.0
|
CD
|
A:PRO128
|
4.7
|
17.3
|
1.0
|
HD22
|
A:LEU179
|
4.8
|
27.3
|
1.0
|
CD
|
A:PRO177
|
4.9
|
16.3
|
1.0
|
CG1
|
A:ILE64
|
4.9
|
27.3
|
1.0
|
O
|
A:HOH460
|
4.9
|
35.9
|
1.0
|
|
Iodine binding site 4 out
of 4 in 6dph
Go back to
Iodine Binding Sites List in 6dph
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 MN2+ and 200 Mm K+ For 120 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 MN2+ and 200 Mm K+ For 120 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I208
b:29.5
occ:0.20
|
HD2
|
A:HIS172
|
2.9
|
24.6
|
1.0
|
O
|
A:HOH449
|
2.9
|
52.5
|
1.0
|
HE3
|
A:LYS121
|
3.5
|
37.8
|
1.0
|
CD2
|
A:HIS172
|
3.6
|
20.5
|
1.0
|
HE2
|
A:LYS121
|
3.7
|
37.8
|
1.0
|
O
|
A:HOH438
|
3.9
|
41.7
|
1.0
|
O
|
A:HOH413
|
4.0
|
39.8
|
1.0
|
NE2
|
A:HIS172
|
4.0
|
24.6
|
1.0
|
CE
|
A:LYS121
|
4.1
|
31.5
|
1.0
|
O
|
A:HOH378
|
4.2
|
38.4
|
1.0
|
HD3
|
A:LYS121
|
4.6
|
29.0
|
1.0
|
CG
|
A:HIS172
|
4.9
|
19.4
|
1.0
|
CD
|
A:LYS121
|
4.9
|
24.1
|
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 23:03:03 2024
|