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Iodine in PDB 6dok: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 25 Mm K+ For 120 S at 21 C (Dataset 1)

Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 25 Mm K+ For 120 S at 21 C (Dataset 1)

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 25 Mm K+ For 120 S at 21 C (Dataset 1):
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 25 Mm K+ For 120 S at 21 C (Dataset 1), PDB code: 6dok 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) 19.95 / 1.38
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.617, 37.433, 62.249, 90.00, 96.58, 90.00
R / Rfree (%) 14.9 / 17

Other elements in 6dok:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 25 Mm K+ For 120 S at 21 C (Dataset 1) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Potassium (K) 1 atom

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 25 Mm K+ For 120 S at 21 C (Dataset 1) (pdb code 6dok). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 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 25 Mm K+ For 120 S at 21 C (Dataset 1), PDB code: 6dok:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 6dok

Go back to Iodine Binding Sites List in 6dok
Iodine binding site 1 out of 2 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 25 Mm K+ For 120 S at 21 C (Dataset 1)


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 25 Mm K+ For 120 S at 21 C (Dataset 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I204

b:33.1
occ:0.35
HH A:TYR83 2.4 30.9 1.0
HD22 A:LEU161 3.0 38.3 1.0
HD13 A:LEU161 3.1 37.0 1.0
OH A:TYR83 3.3 25.8 1.0
HE2 A:TYR83 3.4 29.0 1.0
HD22 A:LEU111 3.4 24.3 1.0
HD13 A:LEU111 3.4 24.8 1.0
HB3 A:LEU161 3.4 30.0 1.0
O A:HOH419 3.4 44.9 1.0
HD3 A:ARG97 3.5 35.1 1.0
HB3 A:LEU111 3.5 21.7 1.0
O A:HOH358 3.7 25.4 1.0
CD2 A:LEU161 3.9 31.9 1.0
HH11 A:ARG97 3.9 43.6 1.0
CD1 A:LEU161 4.0 30.8 1.0
CE2 A:TYR83 4.1 24.2 1.0
CZ A:TYR83 4.1 22.7 1.0
CG A:LEU161 4.2 27.3 1.0
CB A:LEU161 4.2 25.0 1.0
CD2 A:LEU111 4.3 20.2 1.0
CD1 A:LEU111 4.3 20.6 1.0
HD21 A:LEU161 4.3 38.3 1.0
NH1 A:ARG97 4.4 36.3 1.0
CB A:LEU111 4.4 18.1 1.0
HG2 A:ARG97 4.4 30.0 1.0
HD11 A:LEU161 4.4 37.0 1.0
CD A:ARG97 4.4 29.2 1.0
O A:HOH339 4.5 34.4 1.0
HD23 A:LEU161 4.5 38.3 1.0
CG A:LEU111 4.6 18.2 1.0
HB2 A:HIS115 4.6 22.1 1.0
HD12 A:LEU161 4.7 37.0 1.0
HH12 A:ARG97 4.7 43.6 1.0
HD21 A:LEU111 4.8 24.3 1.0
HD11 A:LEU111 4.8 24.8 1.0
HD11 A:ILE100 4.8 38.3 1.0
HB2 A:LEU161 4.8 30.0 1.0
O A:HOH403 4.8 26.0 1.0
HD23 A:LEU111 4.9 24.3 1.0
HD12 A:LEU111 4.9 24.8 1.0
HB2 A:LEU111 4.9 21.7 1.0
CG A:ARG97 4.9 25.0 1.0
HD2 A:ARG97 5.0 35.1 1.0
NE A:ARG97 5.0 30.7 1.0
CZ A:ARG97 5.0 34.7 1.0

Iodine binding site 2 out of 2 in 6dok

Go back to Iodine Binding Sites List in 6dok
Iodine binding site 2 out of 2 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 25 Mm K+ For 120 S at 21 C (Dataset 1)


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 25 Mm K+ For 120 S at 21 C (Dataset 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I205

b:47.0
occ:0.25
HG2 A:PRO177 2.9 27.1 1.0
O A:HOH456 2.9 36.3 1.0
O A:HOH460 2.9 42.9 1.0
HD11 A:LEU179 3.1 27.9 1.0
HG3 A:PRO128 3.2 26.0 1.0
HB3 A:PRO128 3.4 22.4 1.0
HB2 A:PRO177 3.4 29.3 1.0
HD21 A:LEU179 3.6 30.9 1.0
CD1 A:ILE64 3.7 41.2 1.0
CG A:PRO177 3.7 22.6 1.0
CB A:PRO177 3.8 24.4 1.0
HB3 A:PRO177 3.8 29.3 1.0
CG A:PRO128 4.0 21.7 1.0
CD1 A:LEU179 4.0 23.3 1.0
CB A:PRO128 4.1 18.7 1.0
HG3 A:PRO177 4.2 27.1 1.0
O A:HOH462 4.3 54.9 1.0
HD13 A:LEU179 4.4 27.9 1.0
HD3 A:PRO128 4.4 23.5 1.0
HB2 A:PRO128 4.4 22.4 1.0
CD2 A:LEU179 4.5 25.8 1.0
HD12 A:LEU179 4.6 27.9 1.0
HD2 A:PRO177 4.6 24.5 1.0
HG2 A:PRO128 4.7 26.0 1.0
CG A:LEU179 4.7 21.9 1.0
HG A:LEU179 4.7 26.3 1.0
HD22 A:LEU179 4.8 30.9 1.0
CD A:PRO128 4.8 19.6 1.0
CD A:PRO177 4.8 20.4 1.0
O A:HOH455 5.0 36.8 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 22:55:43 2024

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