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Iodine in PDB 6dpe: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 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 20 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 20 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpe 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) 19.24 / 1.56
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 80.981, 38.478, 60.610, 90.00, 96.05, 90.00
R / Rfree (%) 17.2 / 21.7

Other elements in 6dpe:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C also contains other interesting chemical elements:

Potassium (K) 1 atom
Manganese (Mn) 5 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C (pdb code 6dpe). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpe:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in 6dpe

Go back to Iodine Binding Sites List in 6dpe
Iodine binding site 1 out of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 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 20 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:20.4
occ:0.70
HH A:TYR83 2.5 25.6 1.0
HD22 A:LEU161 3.1 29.4 1.0
HD22 A:LEU111 3.3 21.1 1.0
HD13 A:LEU111 3.3 22.0 1.0
HE2 A:TYR83 3.3 22.9 1.0
OH A:TYR83 3.4 21.4 1.0
HB3 A:LEU161 3.4 24.6 1.0
HD13 A:LEU161 3.4 33.5 1.0
HB3 A:LEU111 3.5 17.5 1.0
O A:HOH379 3.5 22.6 1.0
HD3 A:ARG97 3.7 26.6 1.0
O A:HOH332 3.7 20.9 1.0
HH11 A:ARG97 3.8 61.1 1.0
C1 A:GOL212 4.0 45.7 1.0
CE2 A:TYR83 4.1 19.1 1.0
CD2 A:LEU161 4.1 24.5 1.0
O1 A:GOL212 4.2 30.4 1.0
CZ A:TYR83 4.2 17.9 1.0
CD2 A:LEU111 4.2 17.6 1.0
CD1 A:LEU111 4.2 18.3 1.0
CB A:LEU161 4.3 20.5 1.0
CD1 A:LEU161 4.3 27.9 1.0
NH1 A:ARG97 4.3 50.9 1.0
CB A:LEU111 4.4 14.6 1.0
CG A:LEU161 4.5 22.7 1.0
CG A:LEU111 4.5 15.9 1.0
HG2 A:ARG97 4.5 26.2 1.0
HD21 A:LEU161 4.6 29.4 1.0
HD23 A:LEU161 4.6 29.4 1.0
O A:HOH312 4.6 44.5 1.0
HH12 A:ARG97 4.6 61.1 1.0
HB2 A:HIS115 4.6 21.0 1.0
CD A:ARG97 4.6 22.2 1.0
HD11 A:LEU111 4.7 22.0 1.0
HD21 A:LEU111 4.7 21.1 1.0
HD23 A:LEU111 4.8 21.1 1.0
HD11 A:LEU161 4.8 33.5 1.0
HD12 A:LEU111 4.8 22.0 1.0
HB2 A:LEU161 4.8 24.6 1.0
HD11 A:ILE100 4.8 25.5 1.0
HB2 A:LEU111 4.9 17.5 1.0
HD12 A:LEU161 4.9 33.5 1.0
O A:HOH385 4.9 23.5 1.0

Iodine binding site 2 out of 5 in 6dpe

Go back to Iodine Binding Sites List in 6dpe
Iodine binding site 2 out of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 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 20 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:28.6
occ:0.40
HG3 A:GLN134 3.2 31.5 1.0
O A:HOH331 3.2 26.4 1.0
HD3 A:LYS180 3.3 26.8 1.0
HA A:GLN134 3.3 26.9 1.0
HB2 A:LYS180 3.3 25.2 1.0
O A:HOH434 3.4 41.0 1.0
O A:HOH378 3.5 32.9 1.0
HD12 A:ILE137 3.7 23.7 1.0
HG2 A:LYS180 3.9 27.4 1.0
HG21 A:ILE137 4.0 28.1 1.0
CG A:GLN134 4.1 26.2 1.0
CD A:LYS180 4.1 22.4 1.0
CB A:LYS180 4.2 21.0 1.0
CA A:GLN134 4.2 22.4 1.0
HB A:ILE137 4.2 23.8 1.0
HB2 A:GLN134 4.2 26.9 1.0
HD13 A:ILE137 4.2 23.7 1.0
CG A:LYS180 4.3 22.8 1.0
CB A:GLN134 4.3 22.4 1.0
CD1 A:ILE137 4.4 19.7 1.0
HE21 A:GLN134 4.5 39.9 1.0
HE3 A:LYS180 4.5 32.8 1.0
HG2 A:GLN134 4.5 31.5 1.0
O A:HOH432 4.6 59.3 1.0
HB3 A:LYS180 4.6 25.2 1.0
CG2 A:ILE137 4.7 23.5 1.0
O A:HOH437 4.7 57.8 1.0
HG22 A:ILE137 4.7 28.1 1.0
CE A:LYS180 4.8 27.3 1.0
HD2 A:LYS180 4.8 26.8 1.0
CB A:ILE137 4.8 19.8 1.0
O A:GLN134 4.8 22.1 1.0
HE2 A:LYS180 4.9 32.8 1.0

Iodine binding site 3 out of 5 in 6dpe

Go back to Iodine Binding Sites List in 6dpe
Iodine binding site 3 out of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 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 20 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:29.7
occ:0.25
O A:HOH442 3.0 50.5 1.0
HG2 A:PRO177 3.2 24.9 1.0
HD11 A:LEU179 3.2 25.2 1.0
CD1 A:ILE64 3.6 41.2 1.0
HB2 A:PRO177 3.7 27.1 1.0
HD21 A:LEU179 3.8 25.6 1.0
CG A:PRO177 4.0 20.8 1.0
CG A:PRO128 4.0 23.4 1.0
HB3 A:PRO177 4.1 27.1 1.0
CB A:PRO177 4.1 22.6 1.0
CD1 A:LEU179 4.2 21.0 1.0
CB A:PRO128 4.2 20.5 1.0
O A:HOH441 4.3 51.4 1.0
HD13 A:LEU179 4.4 25.2 1.0
HG3 A:PRO177 4.4 24.9 1.0
CD2 A:LEU179 4.6 21.3 1.0
HD12 A:LEU179 4.7 25.2 1.0
CG1 A:ILE64 4.8 33.3 1.0
CD A:PRO128 4.8 19.4 1.0
CG A:LEU179 4.9 19.5 1.0
HD22 A:LEU179 4.9 25.6 1.0
HG A:LEU179 4.9 23.4 1.0
HD2 A:PRO177 4.9 25.2 1.0
CG2 A:ILE64 5.0 24.8 1.0

Iodine binding site 4 out of 5 in 6dpe

Go back to Iodine Binding Sites List in 6dpe
Iodine binding site 4 out of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 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 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I209

b:37.4
occ:0.35
HD2 A:HIS172 3.0 26.2 1.0
HE3 A:LYS121 3.4 52.8 1.0
HE2 A:LYS121 3.7 52.8 1.0
O A:HOH410 3.7 27.8 1.0
CD2 A:HIS172 3.8 21.8 1.0
O A:HOH413 3.9 44.6 1.0
O A:HOH365 4.0 35.3 1.0
CE A:LYS121 4.0 44.0 1.0
O A:HOH392 4.1 35.0 1.0
NE2 A:HIS172 4.2 25.8 1.0
HD3 A:LYS121 4.4 32.0 1.0
CD A:LYS121 4.7 26.7 1.0
HG2 A:LYS121 4.9 25.5 1.0

Iodine binding site 5 out of 5 in 6dpe

Go back to Iodine Binding Sites List in 6dpe
Iodine binding site 5 out of 5 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 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 5 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 20 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I102

b:39.5
occ:0.30
O A:HOH380 3.1 43.2 1.0
C3' b:G6 4.0 27.0 1.0
CB A:ARG195 4.2 26.9 1.0
C2' b:G6 4.2 28.7 1.0
C5' b:G6 4.3 24.0 1.0
O A:ARG195 4.4 37.8 1.0
CG A:ARG195 4.6 27.6 1.0
C4' b:G6 4.8 24.6 1.0
CD A:ARG195 4.8 29.4 1.0
O3' b:G6 4.9 33.1 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: Fri Aug 8 21:18:34 2025

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