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Iodine in PDB 6dp9: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MN2+ and 200 Mm K+ For 40 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 MN2+ and 200 Mm K+ For 40 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 MN2+ and 200 Mm K+ For 40 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 MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dp9 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) 19.77 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.091, 37.976, 61.408, 90.00, 95.96, 90.00
R / Rfree (%) 15.2 / 18.4

Other elements in 6dp9:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MN2+ and 200 Mm K+ For 40 S at 21 C also contains other interesting chemical elements:

Potassium (K) 3 atoms
Manganese (Mn) 2 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 MN2+ and 200 Mm K+ For 40 S at 21 C (pdb code 6dp9). 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 MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dp9:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 6dp9

Go back to Iodine Binding Sites List in 6dp9
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 MN2+ and 200 Mm K+ For 40 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 MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I205

b:18.9
occ:0.58
HH A:TYR83 2.6 25.6 1.0
HD22 A:LEU161 3.2 28.9 1.0
HD13 A:LEU111 3.3 21.1 1.0
HD13 A:LEU161 3.3 29.8 1.0
OH A:TYR83 3.4 21.3 1.0
HD22 A:LEU111 3.4 20.7 1.0
HB3 A:LEU111 3.4 17.1 1.0
HE2 A:TYR83 3.4 22.4 1.0
HB3 A:LEU161 3.5 22.8 1.0
HD3 A:ARG97 3.5 28.1 1.0
O A:HOH372 3.5 22.9 1.0
O A:HOH359 3.7 19.9 1.0
HH11 A:ARG97 3.8 43.1 1.0
C1 A:GOL212 4.0 48.1 1.0
CD2 A:LEU161 4.1 24.1 1.0
CE2 A:TYR83 4.2 18.7 1.0
CD1 A:LEU161 4.2 24.8 1.0
O1 A:GOL212 4.2 43.4 1.0
CD1 A:LEU111 4.2 17.6 1.0
CZ A:TYR83 4.3 17.4 1.0
CD2 A:LEU111 4.3 17.3 1.0
CB A:LEU111 4.3 14.2 1.0
NH1 A:ARG97 4.3 36.0 1.0
CB A:LEU161 4.3 19.0 1.0
CG A:LEU161 4.4 20.9 1.0
CD A:ARG97 4.4 23.4 1.0
HG2 A:ARG97 4.5 24.5 1.0
CG A:LEU111 4.5 16.0 1.0
HD21 A:LEU161 4.6 28.9 1.0
O A:HOH302 4.6 56.6 1.0
HB2 A:HIS115 4.6 18.1 1.0
HD23 A:LEU161 4.6 28.9 1.0
HH12 A:ARG97 4.6 43.1 1.0
HD11 A:LEU161 4.7 29.8 1.0
HD11 A:ILE100 4.7 28.0 1.0
HD11 A:LEU111 4.8 21.1 1.0
HD12 A:LEU111 4.8 21.1 1.0
HB2 A:LEU111 4.8 17.1 1.0
HD21 A:LEU111 4.8 20.7 1.0
HD12 A:LEU161 4.9 29.8 1.0
HD23 A:LEU111 4.9 20.7 1.0
HB2 A:LEU161 4.9 22.8 1.0
O A:HOH380 4.9 22.6 1.0
CZ A:ARG97 5.0 28.4 1.0

Iodine binding site 2 out of 4 in 6dp9

Go back to Iodine Binding Sites List in 6dp9
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 MN2+ and 200 Mm K+ For 40 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 MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I206

b:39.1
occ:0.39
O A:HOH348 3.1 25.1 1.0
HD3 A:LYS180 3.2 28.2 1.0
HB2 A:LYS180 3.2 24.8 1.0
HA A:GLN134 3.3 23.8 1.0
O A:HOH358 3.3 40.7 1.0
O A:HOH440 3.3 42.2 1.0
HG3 A:GLN134 3.3 30.1 1.0
HD12 A:ILE137 3.7 25.0 1.0
HG2 A:LYS180 3.8 26.1 1.0
HG21 A:ILE137 4.0 26.0 1.0
CD A:LYS180 4.0 23.5 1.0
HD13 A:ILE137 4.0 25.0 1.0
CB A:LYS180 4.0 20.7 1.0
HB A:ILE137 4.1 21.9 1.0
CA A:GLN134 4.2 19.8 1.0
CG A:LYS180 4.2 21.8 1.0
CG A:GLN134 4.2 25.1 1.0
HB2 A:GLN134 4.3 26.2 1.0
CD1 A:ILE137 4.3 20.8 1.0
HE21 A:GLN134 4.4 34.3 1.0
CB A:GLN134 4.4 21.8 1.0
O A:HOH433 4.5 38.5 1.0
HB3 A:LYS180 4.5 24.8 1.0
HE3 A:LYS180 4.5 28.5 1.0
CG2 A:ILE137 4.7 21.7 1.0
HD2 A:LYS180 4.7 28.2 1.0
HG2 A:GLN134 4.7 30.1 1.0
HG22 A:ILE137 4.7 26.0 1.0
CE A:LYS180 4.8 23.7 1.0
CB A:ILE137 4.8 18.2 1.0
O A:GLN134 4.8 21.4 1.0
HE2 A:LYS180 4.9 28.5 1.0

Iodine binding site 3 out of 4 in 6dp9

Go back to Iodine Binding Sites List in 6dp9
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 MN2+ and 200 Mm K+ For 40 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 MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I207

b:47.1
occ:0.33
HD2 A:HIS172 2.9 24.4 1.0
HE3 A:LYS121 3.6 51.1 1.0
O A:HOH328 3.7 47.5 1.0
CD2 A:HIS172 3.7 20.4 1.0
O A:HOH422 3.8 59.2 1.0
HE2 A:LYS121 3.8 51.1 1.0
NE2 A:HIS172 4.0 23.7 1.0
O A:HOH400 4.1 42.0 1.0
CE A:LYS121 4.1 42.6 1.0
O A:HOH386 4.2 40.1 1.0
HD3 A:LYS121 4.6 33.2 1.0
CD A:LYS121 4.9 27.7 1.0
CG A:HIS172 5.0 17.4 1.0

Iodine binding site 4 out of 4 in 6dp9

Go back to Iodine Binding Sites List in 6dp9
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 MN2+ and 200 Mm K+ For 40 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 MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I208

b:33.3
occ:0.25
O A:HOH447 2.9 40.6 1.0
HG3 A:PRO128 3.0 27.9 1.0
O A:HOH442 3.0 44.9 1.0
HD11 A:LEU179 3.0 29.1 1.0
HG2 A:PRO177 3.1 24.2 1.0
CD1 A:ILE64 3.5 39.5 1.0
HB2 A:PRO177 3.5 24.3 1.0
HB3 A:PRO128 3.6 25.1 1.0
HD21 A:LEU179 3.8 28.2 1.0
CG A:PRO177 3.9 20.2 1.0
CG A:PRO128 3.9 23.2 1.0
CB A:PRO177 4.0 20.2 1.0
HB3 A:PRO177 4.0 24.3 1.0
CD1 A:LEU179 4.0 24.3 1.0
O A:HOH450 4.1 42.8 1.0
CB A:PRO128 4.2 20.9 1.0
HD13 A:LEU179 4.3 29.1 1.0
HG3 A:PRO177 4.4 24.2 1.0
O A:HOH448 4.4 52.6 1.0
HD3 A:PRO128 4.4 20.8 1.0
HG2 A:PRO128 4.4 27.9 1.0
HD12 A:LEU179 4.5 29.1 1.0
HB2 A:PRO128 4.6 25.1 1.0
CD2 A:LEU179 4.6 23.5 1.0
HD2 A:PRO177 4.7 21.5 1.0
CD A:PRO128 4.7 17.3 1.0
CG A:LEU179 4.8 22.2 1.0
HG A:LEU179 4.8 26.7 1.0
CG1 A:ILE64 4.9 31.8 1.0
HD22 A:LEU179 4.9 28.2 1.0
CD A:PRO177 4.9 17.9 1.0
O A:HOH438 5.0 42.7 1.0
CG2 A:ILE64 5.0 22.4 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 23:01:04 2024

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