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Iodine in PDB 6dod: Crystal Structure of Bacillus Halodurans Ribonuclease H1 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 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 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 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C, PDB code: 6dod 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) 31.09 / 1.54
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.726, 37.835, 62.619, 90.00, 96.77, 90.00
R / Rfree (%) 16 / 19.5

Other elements in 6dod:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 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:

Magnesium (Mg) 2 atoms
Potassium (K) 3 atoms

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: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C (pdb code 6dod). 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: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C, PDB code: 6dod:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 6dod

Go back to Iodine Binding Sites List in 6dod
Iodine binding site 1 out of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 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 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:20.4
occ:0.45
HH A:TYR83 2.5 28.5 1.0
HD22 A:LEU161 3.0 30.3 1.0
HD13 A:LEU161 3.3 27.8 1.0
OH A:TYR83 3.3 23.7 1.0
HD22 A:LEU111 3.4 18.7 1.0
HE2 A:TYR83 3.4 21.1 1.0
HB3 A:LEU161 3.4 20.6 1.0
HD13 A:LEU111 3.4 18.0 1.0
O A:HOH388 3.5 26.1 1.0
HD3 A:ARG97 3.5 25.3 1.0
HB3 A:LEU111 3.5 16.7 1.0
O A:HOH357 3.7 19.1 1.0
HH11 A:ARG97 3.8 38.5 1.0
CD2 A:LEU161 3.9 25.2 1.0
CE2 A:TYR83 4.1 17.5 1.0
CZ A:TYR83 4.1 16.8 1.0
CD1 A:LEU161 4.1 23.2 1.0
CB A:LEU161 4.3 17.1 1.0
CD2 A:LEU111 4.3 15.6 1.0
O A:HOH314 4.3 39.6 1.0
CG A:LEU161 4.3 21.5 1.0
CD1 A:LEU111 4.3 15.0 1.0
NH1 A:ARG97 4.3 32.1 1.0
C3 A:GOL212 4.4 53.8 1.0
HD21 A:LEU161 4.4 30.3 1.0
O3 A:GOL212 4.4 33.5 1.0
CB A:LEU111 4.4 13.9 1.0
CD A:ARG97 4.4 21.1 1.0
HD23 A:LEU161 4.5 30.3 1.0
HG2 A:ARG97 4.5 22.5 1.0
HD11 A:LEU161 4.6 27.8 1.0
CG A:LEU111 4.6 14.9 1.0
HH12 A:ARG97 4.7 38.5 1.0
HB2 A:HIS115 4.7 19.6 1.0
HD11 A:ILE100 4.8 25.1 1.0
HB2 A:LEU161 4.8 20.6 1.0
HD21 A:LEU111 4.8 18.7 1.0
HD12 A:LEU161 4.8 27.8 1.0
HD11 A:LEU111 4.8 18.0 1.0
HD23 A:LEU111 4.9 18.7 1.0
HB2 A:LEU111 4.9 16.7 1.0
O A:HOH400 4.9 22.5 1.0
HD12 A:LEU111 4.9 18.0 1.0
HD2 A:ARG97 5.0 25.3 1.0

Iodine binding site 2 out of 4 in 6dod

Go back to Iodine Binding Sites List in 6dod
Iodine binding site 2 out of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 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 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:34.6
occ:0.40
HD3 A:LYS180 3.2 34.8 1.0
O A:HOH453 3.2 32.1 1.0
O A:HOH384 3.2 23.0 1.0
HG3 A:GLN134 3.2 30.2 1.0
HB2 A:LYS180 3.3 22.2 1.0
HA A:GLN134 3.3 20.1 1.0
C6 A:PGE216 3.6 69.8 1.0
O4 A:PGE216 3.6 35.9 1.0
HD12 A:ILE137 3.6 19.0 1.0
O A:HOH456 3.9 65.8 1.0
HG2 A:LYS180 4.0 24.4 1.0
HG21 A:ILE137 4.0 20.2 1.0
HD13 A:ILE137 4.0 19.0 1.0
CD A:LYS180 4.0 29.0 1.0
CB A:LYS180 4.1 18.5 1.0
CG A:GLN134 4.1 25.2 1.0
HB A:ILE137 4.2 18.2 1.0
CA A:GLN134 4.2 16.8 1.0
HB2 A:GLN134 4.2 27.3 1.0
CG A:LYS180 4.3 20.4 1.0
CD1 A:ILE137 4.3 15.8 1.0
CB A:GLN134 4.4 22.7 1.0
HE3 A:LYS180 4.5 33.4 1.0
HE21 A:GLN134 4.5 32.3 1.0
HB3 A:LYS180 4.5 22.2 1.0
O A:HOH451 4.5 35.8 1.0
HG2 A:GLN134 4.6 30.2 1.0
CG2 A:ILE137 4.7 16.9 1.0
CE A:LYS180 4.7 27.8 1.0
HD2 A:LYS180 4.7 34.8 1.0
HE2 A:LYS180 4.8 33.4 1.0
HG22 A:ILE137 4.8 20.2 1.0
CB A:ILE137 4.8 15.2 1.0
O A:GLN134 4.9 19.9 1.0
HD11 A:ILE137 5.0 19.0 1.0

Iodine binding site 3 out of 4 in 6dod

Go back to Iodine Binding Sites List in 6dod
Iodine binding site 3 out of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 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 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:31.4
occ:0.30
O A:HOH459 2.8 32.2 1.0
HD13 A:ILE64 3.0 46.1 1.0
HG2 A:PRO177 3.0 25.2 1.0
HG3 A:PRO128 3.2 22.7 1.0
HD11 A:LEU179 3.2 23.7 1.0
HB3 A:PRO128 3.5 19.9 1.0
HB2 A:PRO177 3.6 18.9 1.0
CD1 A:ILE64 3.6 38.4 1.0
HD11 A:ILE64 3.7 46.1 1.0
HD12 A:ILE64 3.7 46.1 1.0
HD21 A:LEU179 3.8 24.2 1.0
CG A:PRO177 3.8 21.0 1.0
HB3 A:PRO177 4.0 18.9 1.0
CB A:PRO177 4.0 15.7 1.0
CG A:PRO128 4.0 18.9 1.0
CB A:PRO128 4.1 16.6 1.0
CD1 A:LEU179 4.2 19.8 1.0
HG21 A:ILE64 4.3 34.7 1.0
HG3 A:PRO177 4.3 25.2 1.0
HD3 A:PRO128 4.4 18.6 1.0
HB2 A:PRO128 4.5 19.9 1.0
HD13 A:LEU179 4.5 23.7 1.0
CD2 A:LEU179 4.6 20.2 1.0
HG2 A:PRO128 4.7 22.7 1.0
HD12 A:LEU179 4.7 23.7 1.0
HD2 A:PRO177 4.8 20.0 1.0
CD A:PRO128 4.8 15.5 1.0
CG A:LEU179 4.9 18.9 1.0
HD22 A:LEU179 4.9 24.2 1.0
HG A:LEU179 4.9 22.7 1.0
CD A:PRO177 4.9 16.6 1.0
CG1 A:ILE64 5.0 32.4 1.0

Iodine binding site 4 out of 4 in 6dod

Go back to Iodine Binding Sites List in 6dod
Iodine binding site 4 out of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 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 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:I207

b:57.7
occ:0.35
HD2 A:HIS172 3.0 29.6 1.0
HE3 A:LYS121 3.6 35.1 1.0
O A:HOH343 3.7 48.7 1.0
CD2 A:HIS172 3.7 24.6 1.0
HE2 A:LYS121 3.9 35.1 1.0
O A:HOH435 4.0 51.1 1.0
NE2 A:HIS172 4.1 23.6 1.0
O A:HOH415 4.1 32.6 1.0
CE A:LYS121 4.2 29.2 1.0
O A:HOH407 4.3 33.5 1.0
HD3 A:LYS121 4.7 26.2 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 22:53:50 2024

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