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Iodine in PDB 6doq: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 120 S at 21 C (Dataset 2)

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 120 S at 21 C (Dataset 2)

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 120 S at 21 C (Dataset 2):
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 120 S at 21 C (Dataset 2), PDB code: 6doq 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) 19.85 / 1.42
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.377, 37.862, 61.835, 90.00, 96.02, 90.00
R / Rfree (%) 14.9 / 17.7

Other elements in 6doq:

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 120 S at 21 C (Dataset 2) 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 120 S at 21 C (Dataset 2) (pdb code 6doq). 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 120 S at 21 C (Dataset 2), PDB code: 6doq:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 6doq

Go back to Iodine Binding Sites List in 6doq
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 120 S at 21 C (Dataset 2)


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 120 S at 21 C (Dataset 2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I204

b:17.9
occ:0.60
HH A:TYR83 2.6 25.8 1.0
HD22 A:LEU161 3.2 28.9 1.0
HE2 A:TYR83 3.4 20.1 1.0
HD22 A:LEU111 3.4 18.8 1.0
OH A:TYR83 3.4 21.5 1.0
HD13 A:LEU161 3.4 35.9 1.0
HD3 A:ARG97 3.4 26.9 1.0
HB3 A:LEU161 3.4 24.3 1.0
HD13 A:LEU111 3.4 20.3 1.0
HB3 A:LEU111 3.5 17.5 1.0
O A:HOH373 3.5 24.0 1.0
O A:HOH368 3.7 20.4 1.0
HH11 A:ARG97 3.8 36.9 1.0
CE2 A:TYR83 4.1 16.7 1.0
CD2 A:LEU161 4.1 24.1 1.0
CZ A:TYR83 4.2 18.7 1.0
CD1 A:LEU161 4.3 29.9 1.0
O A:HOH363 4.3 35.1 1.0
CD2 A:LEU111 4.3 15.6 1.0
NH1 A:ARG97 4.3 30.8 1.0
CB A:LEU161 4.3 20.2 1.0
CD1 A:LEU111 4.3 16.9 1.0
CB A:LEU111 4.4 14.6 1.0
CD A:ARG97 4.4 22.4 1.0
HG2 A:ARG97 4.4 23.6 1.0
CG A:LEU161 4.4 20.4 1.0
CG A:LEU111 4.5 16.1 1.0
HH12 A:ARG97 4.6 36.9 1.0
HD21 A:LEU161 4.6 28.9 1.0
HB2 A:HIS115 4.7 15.8 1.0
HD11 A:ILE100 4.7 25.3 1.0
HD23 A:LEU161 4.7 28.9 1.0
HD11 A:LEU161 4.7 35.9 1.0
HD21 A:LEU111 4.8 18.8 1.0
HB2 A:LEU161 4.8 24.3 1.0
HD11 A:LEU111 4.8 20.3 1.0
HD23 A:LEU111 4.8 18.8 1.0
HB2 A:LEU111 4.9 17.5 1.0
HD12 A:LEU161 4.9 35.9 1.0
HD2 A:ARG97 4.9 26.9 1.0
HD12 A:LEU111 4.9 20.3 1.0
CZ A:ARG97 4.9 24.6 1.0
NE A:ARG97 4.9 24.5 1.0
CG A:ARG97 4.9 19.6 1.0
O A:HOH383 4.9 22.2 1.0

Iodine binding site 2 out of 4 in 6doq

Go back to Iodine Binding Sites List in 6doq
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 120 S at 21 C (Dataset 2)


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 120 S at 21 C (Dataset 2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I205

b:35.4
occ:0.40
HD3 A:LYS180 3.2 26.5 1.0
HB2 A:LYS180 3.2 24.3 1.0
O A:HOH360 3.2 24.4 1.0
O A:HOH438 3.2 38.7 1.0
HA A:GLN134 3.3 23.8 1.0
HG3 A:GLN134 3.3 35.4 1.0
O A:HOH315 3.6 36.9 1.0
HD12 A:ILE137 3.7 24.2 1.0
HG2 A:LYS180 3.8 25.7 1.0
HG21 A:ILE137 4.0 23.8 1.0
CD A:LYS180 4.0 22.1 1.0
CB A:LYS180 4.1 20.3 1.0
HD13 A:ILE137 4.1 24.2 1.0
CA A:GLN134 4.2 19.8 1.0
CG A:LYS180 4.2 21.4 1.0
CG A:GLN134 4.2 29.5 1.0
HB A:ILE137 4.2 22.2 1.0
HB2 A:GLN134 4.2 26.1 1.0
CD1 A:ILE137 4.4 20.2 1.0
CB A:GLN134 4.4 21.7 1.0
O A:HOH432 4.4 41.1 1.0
HB3 A:LYS180 4.4 24.3 1.0
HE3 A:LYS180 4.5 26.9 1.0
HE21 A:GLN134 4.5 38.1 1.0
HG2 A:GLN134 4.7 35.4 1.0
CG2 A:ILE137 4.7 19.8 1.0
HD2 A:LYS180 4.7 26.5 1.0
CE A:LYS180 4.8 22.4 1.0
HG22 A:ILE137 4.8 23.8 1.0
CB A:ILE137 4.9 18.5 1.0
O A:GLN134 4.9 20.2 1.0
HE2 A:LYS180 4.9 26.9 1.0

Iodine binding site 3 out of 4 in 6doq

Go back to Iodine Binding Sites List in 6doq
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 120 S at 21 C (Dataset 2)


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 120 S at 21 C (Dataset 2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I206

b:34.9
occ:0.30
O A:HOH445 2.9 46.1 1.0
O A:HOH441 3.0 37.6 1.0
HD11 A:LEU179 3.1 27.2 1.0
HG2 A:PRO177 3.1 26.4 1.0
HG3 A:PRO128 3.2 30.9 1.0
CD1 A:ILE64 3.5 37.5 1.0
HB3 A:PRO128 3.6 22.3 1.0
HB2 A:PRO177 3.6 24.1 1.0
HD21 A:LEU179 3.8 27.5 1.0
CG A:PRO177 3.9 22.0 1.0
HB3 A:PRO177 4.0 24.1 1.0
CB A:PRO177 4.0 20.1 1.0
CD1 A:LEU179 4.1 22.6 1.0
CG A:PRO128 4.1 25.8 1.0
HG21 A:ILE64 4.2 29.5 1.0
CB A:PRO128 4.2 18.6 1.0
O A:HOH446 4.3 58.6 1.0
HD13 A:LEU179 4.3 27.2 1.0
HG3 A:PRO177 4.4 26.4 1.0
HD3 A:PRO128 4.5 19.1 1.0
CD2 A:LEU179 4.6 22.9 1.0
HD12 A:LEU179 4.6 27.2 1.0
HB2 A:PRO128 4.6 22.3 1.0
HG2 A:PRO128 4.7 30.9 1.0
CG A:LEU179 4.8 20.7 1.0
CG1 A:ILE64 4.8 31.4 1.0
HD22 A:LEU179 4.8 27.5 1.0
HG A:LEU179 4.8 24.8 1.0
CD A:PRO128 4.9 15.9 1.0
HD2 A:PRO177 4.9 23.9 1.0
O A:HOH439 4.9 43.4 1.0
HG12 A:ILE64 4.9 37.7 1.0

Iodine binding site 4 out of 4 in 6doq

Go back to Iodine Binding Sites List in 6doq
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 120 S at 21 C (Dataset 2)


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 120 S at 21 C (Dataset 2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I207

b:34.6
occ:0.20
HD2 A:HIS172 2.9 23.2 1.0
O A:HOH434 3.4 57.2 1.0
HE3 A:LYS121 3.5 35.5 1.0
HE2 A:LYS121 3.7 35.5 1.0
CD2 A:HIS172 3.7 19.3 1.0
O A:HOH423 3.8 43.8 1.0
O A:HOH404 4.0 38.4 1.0
NE2 A:HIS172 4.0 21.3 1.0
CE A:LYS121 4.1 29.5 1.0
O A:HOH392 4.1 38.5 1.0
HD3 A:LYS121 4.5 27.9 1.0
CD A:LYS121 4.9 23.2 1.0
CG A:HIS172 5.0 17.0 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 22:57:31 2024

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