Iodine in PDB 6dpk: Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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 K196A 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 K196A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C, PDB code: 6dpk
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 /
1.39
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.492,
37.598,
61.734,
90.00,
96.79,
90.00
|
R / Rfree (%)
|
14.3 /
16.9
|
Other elements in 6dpk:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
(pdb code 6dpk). 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 K196A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C, PDB code: 6dpk:
Jump to Iodine binding site number:
1;
2;
3;
Iodine binding site 1 out
of 3 in 6dpk
Go back to
Iodine Binding Sites List in 6dpk
Iodine binding site 1 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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:17.2
occ:0.50
|
HH
|
A:TYR83
|
2.5
|
25.2
|
1.0
|
HD22
|
A:LEU161
|
3.2
|
27.7
|
1.0
|
HD13
|
A:LEU161
|
3.3
|
27.3
|
1.0
|
OH
|
A:TYR83
|
3.3
|
21.0
|
1.0
|
HD22
|
A:LEU111
|
3.3
|
20.4
|
1.0
|
HD13
|
A:LEU111
|
3.4
|
20.6
|
1.0
|
HE2
|
A:TYR83
|
3.4
|
22.7
|
1.0
|
HD3
|
A:ARG97
|
3.4
|
27.9
|
1.0
|
HB3
|
A:LEU161
|
3.4
|
21.0
|
1.0
|
HB3
|
A:LEU111
|
3.5
|
18.1
|
1.0
|
O
|
A:HOH379
|
3.5
|
29.0
|
1.0
|
O
|
A:HOH361
|
3.6
|
20.0
|
1.0
|
C1
|
A:GOL207
|
3.8
|
77.0
|
1.0
|
HH11
|
A:ARG97
|
3.8
|
34.4
|
1.0
|
CE2
|
A:TYR83
|
4.1
|
18.9
|
1.0
|
CD2
|
A:LEU161
|
4.1
|
23.1
|
1.0
|
CZ
|
A:TYR83
|
4.2
|
17.6
|
1.0
|
CD1
|
A:LEU161
|
4.2
|
22.7
|
1.0
|
CD2
|
A:LEU111
|
4.3
|
17.0
|
1.0
|
CD1
|
A:LEU111
|
4.3
|
17.1
|
1.0
|
CB
|
A:LEU161
|
4.3
|
17.5
|
1.0
|
NH1
|
A:ARG97
|
4.3
|
28.7
|
1.0
|
CD
|
A:ARG97
|
4.3
|
23.3
|
1.0
|
CB
|
A:LEU111
|
4.4
|
15.0
|
1.0
|
CG
|
A:LEU161
|
4.4
|
21.0
|
1.0
|
O1
|
A:GOL207
|
4.4
|
74.5
|
1.0
|
HG2
|
A:ARG97
|
4.5
|
23.4
|
1.0
|
CG
|
A:LEU111
|
4.5
|
14.9
|
1.0
|
HD21
|
A:LEU161
|
4.6
|
27.7
|
1.0
|
O
|
A:HOH347
|
4.6
|
78.1
|
1.0
|
HH12
|
A:ARG97
|
4.6
|
34.4
|
1.0
|
HD11
|
A:LEU161
|
4.6
|
27.3
|
1.0
|
HD23
|
A:LEU161
|
4.7
|
27.7
|
1.0
|
HB2
|
A:HIS115
|
4.7
|
18.8
|
1.0
|
HD21
|
A:LEU111
|
4.8
|
20.4
|
1.0
|
HD11
|
A:ILE100
|
4.8
|
25.4
|
1.0
|
HD11
|
A:LEU111
|
4.8
|
20.6
|
1.0
|
HB2
|
A:LEU161
|
4.8
|
21.0
|
1.0
|
HD12
|
A:LEU161
|
4.8
|
27.3
|
1.0
|
HD23
|
A:LEU111
|
4.8
|
20.4
|
1.0
|
O
|
A:HOH392
|
4.8
|
22.3
|
1.0
|
HB2
|
A:LEU111
|
4.9
|
18.1
|
1.0
|
HD12
|
A:LEU111
|
4.9
|
20.6
|
1.0
|
HD2
|
A:ARG97
|
4.9
|
27.9
|
1.0
|
C2
|
A:GOL207
|
4.9
|
79.9
|
1.0
|
CG
|
A:ARG97
|
4.9
|
19.5
|
1.0
|
HB2
|
A:ARG97
|
5.0
|
23.3
|
1.0
|
CZ
|
A:ARG97
|
5.0
|
24.0
|
1.0
|
NE
|
A:ARG97
|
5.0
|
22.1
|
1.0
|
O
|
A:HOH331
|
5.0
|
23.6
|
1.0
|
|
Iodine binding site 2 out
of 3 in 6dpk
Go back to
Iodine Binding Sites List in 6dpk
Iodine binding site 2 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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:33.3
occ:0.40
|
O
|
A:HOH441
|
3.2
|
41.1
|
1.0
|
O
|
A:HOH365
|
3.2
|
23.0
|
1.0
|
HB2
|
A:LYS180
|
3.2
|
24.0
|
1.0
|
HD3
|
A:LYS180
|
3.3
|
30.2
|
1.0
|
HG3
|
A:GLN134
|
3.3
|
29.8
|
1.0
|
HA
|
A:GLN134
|
3.4
|
23.0
|
1.0
|
O
|
A:HOH344
|
3.7
|
28.2
|
1.0
|
HD12
|
A:ILE137
|
3.7
|
21.8
|
1.0
|
HG2
|
A:LYS180
|
3.9
|
26.4
|
1.0
|
HG21
|
A:ILE137
|
4.0
|
20.7
|
1.0
|
HD13
|
A:ILE137
|
4.0
|
21.8
|
1.0
|
CD
|
A:LYS180
|
4.1
|
25.2
|
1.0
|
CB
|
A:LYS180
|
4.1
|
20.0
|
1.0
|
CG
|
A:GLN134
|
4.2
|
24.8
|
1.0
|
HB
|
A:ILE137
|
4.2
|
19.7
|
1.0
|
CG
|
A:LYS180
|
4.3
|
22.0
|
1.0
|
CA
|
A:GLN134
|
4.3
|
19.2
|
1.0
|
CD1
|
A:ILE137
|
4.3
|
18.1
|
1.0
|
HB2
|
A:GLN134
|
4.4
|
25.0
|
1.0
|
HE21
|
A:GLN134
|
4.4
|
31.9
|
1.0
|
CB
|
A:GLN134
|
4.5
|
20.8
|
1.0
|
HB3
|
A:LYS180
|
4.5
|
24.0
|
1.0
|
HE3
|
A:LYS180
|
4.6
|
34.3
|
1.0
|
O
|
A:HOH436
|
4.6
|
37.5
|
1.0
|
HG2
|
A:GLN134
|
4.7
|
29.8
|
1.0
|
CG2
|
A:ILE137
|
4.7
|
17.2
|
1.0
|
HG22
|
A:ILE137
|
4.8
|
20.7
|
1.0
|
CE
|
A:LYS180
|
4.8
|
28.6
|
1.0
|
HD2
|
A:LYS180
|
4.8
|
30.2
|
1.0
|
HE2
|
A:LYS180
|
4.8
|
34.3
|
1.0
|
CB
|
A:ILE137
|
4.9
|
16.4
|
1.0
|
O
|
A:GLN134
|
4.9
|
17.9
|
1.0
|
HD11
|
A:ILE137
|
5.0
|
21.8
|
1.0
|
|
Iodine binding site 3 out
of 3 in 6dpk
Go back to
Iodine Binding Sites List in 6dpk
Iodine binding site 3 out
of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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:29.9
occ:0.25
|
O
|
A:HOH445
|
2.9
|
30.8
|
1.0
|
O
|
A:HOH447
|
2.9
|
42.0
|
1.0
|
HD13
|
A:ILE64
|
3.0
|
46.2
|
1.0
|
HG2
|
A:PRO177
|
3.1
|
22.9
|
1.0
|
HD11
|
A:LEU179
|
3.1
|
24.2
|
1.0
|
HG3
|
A:PRO128
|
3.2
|
25.4
|
1.0
|
HB3
|
A:PRO128
|
3.4
|
21.0
|
1.0
|
HB2
|
A:PRO177
|
3.6
|
21.1
|
1.0
|
CD1
|
A:ILE64
|
3.7
|
38.5
|
1.0
|
HD11
|
A:ILE64
|
3.7
|
46.2
|
1.0
|
HD21
|
A:LEU179
|
3.7
|
25.5
|
1.0
|
HD12
|
A:ILE64
|
3.8
|
46.2
|
1.0
|
CG
|
A:PRO177
|
3.9
|
19.1
|
1.0
|
CB
|
A:PRO177
|
4.0
|
17.6
|
1.0
|
HB3
|
A:PRO177
|
4.0
|
21.1
|
1.0
|
CG
|
A:PRO128
|
4.0
|
21.2
|
1.0
|
CD1
|
A:LEU179
|
4.0
|
20.1
|
1.0
|
O
|
A:HOH448
|
4.1
|
36.8
|
1.0
|
CB
|
A:PRO128
|
4.1
|
17.5
|
1.0
|
HG21
|
A:ILE64
|
4.2
|
28.3
|
1.0
|
HD3
|
A:PRO128
|
4.3
|
19.5
|
1.0
|
HG3
|
A:PRO177
|
4.3
|
22.9
|
1.0
|
HD13
|
A:LEU179
|
4.4
|
24.2
|
1.0
|
HB2
|
A:PRO128
|
4.5
|
21.0
|
1.0
|
HD12
|
A:LEU179
|
4.5
|
24.2
|
1.0
|
CD2
|
A:LEU179
|
4.6
|
21.2
|
1.0
|
HG2
|
A:PRO128
|
4.7
|
25.4
|
1.0
|
CD
|
A:PRO128
|
4.8
|
16.2
|
1.0
|
CG
|
A:LEU179
|
4.8
|
19.1
|
1.0
|
HG
|
A:LEU179
|
4.8
|
22.9
|
1.0
|
HD2
|
A:PRO177
|
4.8
|
19.8
|
1.0
|
HD22
|
A:LEU179
|
4.8
|
25.5
|
1.0
|
CD
|
A:PRO177
|
5.0
|
16.5
|
1.0
|
O
|
A:HOH444
|
5.0
|
41.1
|
1.0
|
CG1
|
A:ILE64
|
5.0
|
28.3
|
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 23:04:15 2024
|