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Iodine in PDB 6dmn: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C

Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C

All present enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C, PDB code: 6dmn 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) 19.86 / 1.27
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.465, 37.681, 62.022, 90.00, 95.93, 90.00
R / Rfree (%) 15 / 17.1

Other elements in 6dmn:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C also contains other interesting chemical elements:

Potassium (K) 1 atom
Calcium (Ca) 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C (pdb code 6dmn). 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C, PDB code: 6dmn:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 6dmn

Go back to Iodine Binding Sites List in 6dmn
Iodine binding site 1 out of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I203

b:16.0
occ:0.35
HH A:TYR83 2.5 28.4 1.0
HD22 A:LEU161 3.2 32.0 1.0
HD13 A:LEU161 3.2 29.6 1.0
O A:HOH348 3.3 39.5 1.0
OH A:TYR83 3.4 23.7 1.0
HD22 A:LEU111 3.4 18.0 1.0
HE2 A:TYR83 3.4 22.9 1.0
HB3 A:LEU161 3.4 22.7 1.0
HD13 A:LEU111 3.4 20.5 1.0
O A:HOH402 3.5 30.2 1.0
HD3 A:ARG97 3.5 27.9 1.0
HB3 A:LEU111 3.6 16.9 1.0
O A:HOH353 3.7 20.4 1.0
HH11 A:ARG97 3.8 36.6 1.0
CD2 A:LEU161 4.1 26.7 1.0
CE2 A:TYR83 4.1 19.1 1.0
CD1 A:LEU161 4.1 24.7 1.0
O A:HOH329 4.2 41.8 1.0
CZ A:TYR83 4.2 18.7 1.0
CB A:LEU161 4.2 18.9 1.0
CD2 A:LEU111 4.3 15.0 1.0
CD1 A:LEU111 4.3 17.1 1.0
NH1 A:ARG97 4.3 30.5 1.0
CG A:LEU161 4.3 22.4 1.0
HG2 A:ARG97 4.4 23.1 1.0
CD A:ARG97 4.4 23.3 1.0
CB A:LEU111 4.4 14.1 1.0
HD21 A:LEU161 4.5 32.0 1.0
CG A:LEU111 4.6 14.6 1.0
HD11 A:LEU161 4.6 29.6 1.0
HH12 A:ARG97 4.6 36.6 1.0
HD23 A:LEU161 4.6 32.0 1.0
HD11 A:ILE100 4.7 25.5 1.0
HB2 A:HIS115 4.7 17.7 1.0
HD21 A:LEU111 4.7 18.0 1.0
HD12 A:LEU161 4.7 29.6 1.0
HD11 A:LEU111 4.8 20.5 1.0
HB2 A:LEU161 4.8 22.7 1.0
HD23 A:LEU111 4.8 18.0 1.0
HD12 A:LEU111 4.9 20.5 1.0
O A:HOH376 4.9 22.1 1.0
HB2 A:LEU111 4.9 16.9 1.0
CG A:ARG97 4.9 19.3 1.0
CZ A:ARG97 5.0 25.8 1.0
NE A:ARG97 5.0 24.7 1.0
HD2 A:ARG97 5.0 27.9 1.0
O A:HOH337 5.0 23.3 1.0

Iodine binding site 2 out of 4 in 6dmn

Go back to Iodine Binding Sites List in 6dmn
Iodine binding site 2 out of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I204

b:28.8
occ:0.35
O A:HOH432 3.1 54.4 1.0
O A:HOH354 3.2 25.9 1.0
HD3 A:LYS180 3.2 25.6 1.0
HA A:GLN134 3.3 23.1 1.0
HB2 A:LYS180 3.3 23.5 1.0
HG3 A:GLN134 3.3 35.9 1.0
O A:HOH324 3.4 36.8 1.0
HD12 A:ILE137 3.7 21.1 1.0
HG2 A:LYS180 3.8 26.4 1.0
CD A:LYS180 4.0 21.3 1.0
HG21 A:ILE137 4.1 24.1 1.0
CB A:LYS180 4.1 19.6 1.0
HD13 A:ILE137 4.1 21.1 1.0
HB2 A:GLN134 4.2 27.4 1.0
CG A:LYS180 4.2 22.0 1.0
CA A:GLN134 4.2 19.2 1.0
HB A:ILE137 4.2 18.6 1.0
CG A:GLN134 4.2 29.9 1.0
HE3 A:LYS180 4.4 26.9 1.0
CB A:GLN134 4.4 22.8 1.0
CD1 A:ILE137 4.4 17.6 1.0
HE21 A:GLN134 4.4 37.1 1.0
O C:HOH219 4.5 41.5 1.0
HB3 A:LYS180 4.5 23.5 1.0
CE A:LYS180 4.7 22.4 1.0
HD2 A:LYS180 4.7 25.6 1.0
CG2 A:ILE137 4.8 20.1 1.0
HG2 A:GLN134 4.8 35.9 1.0
HE2 A:LYS180 4.8 26.9 1.0
HG22 A:ILE137 4.9 24.1 1.0
CB A:ILE137 4.9 15.5 1.0
O A:GLN134 4.9 18.8 1.0

Iodine binding site 3 out of 4 in 6dmn

Go back to Iodine Binding Sites List in 6dmn
Iodine binding site 3 out of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I205

b:33.3
occ:0.25
HD13 A:ILE64 2.9 60.4 1.0
HD11 A:LEU179 3.1 23.6 1.0
HG2 A:PRO177 3.1 24.7 1.0
HG3 A:PRO128 3.2 25.8 1.0
HD12 A:ILE64 3.3 60.4 1.0
CD1 A:ILE64 3.4 50.4 1.0
HD11 A:ILE64 3.5 60.4 1.0
HB2 A:PRO177 3.6 22.5 1.0
HB3 A:PRO128 3.6 20.1 1.0
HD21 A:LEU179 3.7 27.2 1.0
CG A:PRO177 3.9 20.6 1.0
HB3 A:PRO177 4.0 22.5 1.0
CB A:PRO177 4.0 18.8 1.0
CD1 A:LEU179 4.1 19.7 1.0
CG A:PRO128 4.1 21.5 1.0
HG21 A:ILE64 4.2 31.6 1.0
CB A:PRO128 4.3 16.7 1.0
HD13 A:LEU179 4.3 23.6 1.0
HG3 A:PRO177 4.4 24.7 1.0
HD3 A:PRO128 4.5 18.7 1.0
CD2 A:LEU179 4.5 22.7 1.0
HD12 A:LEU179 4.6 23.6 1.0
HB2 A:PRO128 4.7 20.1 1.0
HG2 A:PRO128 4.7 25.8 1.0
HD22 A:LEU179 4.8 27.2 1.0
CG A:LEU179 4.8 18.7 1.0
CG1 A:ILE64 4.8 36.8 1.0
HG A:LEU179 4.8 22.5 1.0
CD A:PRO128 4.9 15.6 1.0
O A:HOH435 4.9 46.2 1.0
HD2 A:PRO177 4.9 21.9 1.0

Iodine binding site 4 out of 4 in 6dmn

Go back to Iodine Binding Sites List in 6dmn
Iodine binding site 4 out of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Soaked in 2 Mm CA2+ and 200 Mm K+ 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: Soaked in 2 Mm CA2+ and 200 Mm K+ at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I206

b:44.1
occ:0.35
HE3 A:LYS121 3.4 30.0 1.0
O A:HOH315 3.5 53.7 1.0
HE2 A:LYS121 3.6 30.0 1.0
CD2 A:HIS172 3.7 20.3 1.0
CE A:LYS121 4.0 25.0 1.0
NE2 A:HIS172 4.1 25.0 1.0
O A:HOH389 4.4 44.8 1.0
HD3 A:LYS121 4.6 27.7 1.0
HZ1 A:LYS121 4.8 29.1 1.0
CD A:LYS121 4.9 23.1 1.0
CG A:HIS172 4.9 17.6 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 22:51:28 2024

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