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Iodine in PDB 6dpa: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 4 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 4 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 4 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 4 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpa 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) 19.83 / 1.49
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.199, 37.746, 62.051, 90.00, 96.25, 90.00
R / Rfree (%) 15.5 / 18.6

Other elements in 6dpa:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 4 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 4 Mm MN2+ and 200 Mm K+ For 40 S at 21 C (pdb code 6dpa). 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 4 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpa:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 6dpa

Go back to Iodine Binding Sites List in 6dpa
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 4 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 4 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I204

b:22.0
occ:0.60
HH A:TYR83 2.5 29.2 1.0
HD22 A:LEU161 3.2 33.9 1.0
HD13 A:LEU161 3.3 30.4 1.0
OH A:TYR83 3.3 24.3 1.0
HB3 A:LEU161 3.4 21.7 1.0
HD22 A:LEU111 3.4 19.9 1.0
HE2 A:TYR83 3.4 19.9 1.0
HD13 A:LEU111 3.4 20.7 1.0
HB3 A:LEU111 3.5 18.0 1.0
O A:HOH387 3.5 27.3 1.0
HD3 A:ARG97 3.5 24.1 1.0
O A:HOH330 3.7 20.8 1.0
HH11 A:ARG97 3.8 41.0 1.0
CD2 A:LEU161 4.1 28.2 1.0
CE2 A:TYR83 4.1 16.6 1.0
C1 A:GOL210 4.1 44.9 1.0
CD1 A:LEU161 4.2 25.3 1.0
CZ A:TYR83 4.2 18.7 1.0
O1 A:GOL210 4.2 40.9 1.0
CB A:LEU161 4.3 18.1 1.0
NH1 A:ARG97 4.3 34.2 1.0
CD2 A:LEU111 4.3 16.6 1.0
CD1 A:LEU111 4.3 17.3 1.0
HG2 A:ARG97 4.3 24.6 1.0
CB A:LEU111 4.3 15.0 1.0
O A:HOH303 4.4 53.0 1.0
CG A:LEU161 4.4 22.0 1.0
CD A:ARG97 4.4 20.1 1.0
CG A:LEU111 4.6 15.3 1.0
HD21 A:LEU161 4.6 33.9 1.0
HH12 A:ARG97 4.6 41.0 1.0
HD23 A:LEU161 4.6 33.9 1.0
HD11 A:LEU161 4.7 30.4 1.0
HD11 A:ILE100 4.7 28.6 1.0
HB2 A:HIS115 4.7 18.4 1.0
HB2 A:LEU161 4.8 21.7 1.0
HD12 A:LEU161 4.8 30.4 1.0
HD21 A:LEU111 4.8 19.9 1.0
HD11 A:LEU111 4.8 20.7 1.0
HD23 A:LEU111 4.8 19.9 1.0
HB2 A:LEU111 4.9 18.0 1.0
CZ A:ARG97 4.9 26.8 1.0
HD12 A:LEU111 4.9 20.7 1.0
O A:HOH388 4.9 23.2 1.0
CG A:ARG97 4.9 20.5 1.0
NE A:ARG97 4.9 26.0 1.0

Iodine binding site 2 out of 4 in 6dpa

Go back to Iodine Binding Sites List in 6dpa
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 4 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 4 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:40.6
occ:0.40
O A:HOH427 3.1 42.6 1.0
HD3 A:LYS180 3.1 28.5 1.0
HB2 A:LYS180 3.2 23.0 1.0
O A:HOH342 3.2 27.0 1.0
HA A:GLN134 3.3 24.1 1.0
HG3 A:GLN134 3.3 32.2 1.0
O A:HOH331 3.5 39.2 1.0
HD12 A:ILE137 3.7 24.5 1.0
HG2 A:LYS180 3.9 27.6 1.0
CD A:LYS180 4.0 23.8 1.0
HG21 A:ILE137 4.0 26.8 1.0
CB A:LYS180 4.0 19.2 1.0
HD13 A:ILE137 4.0 24.5 1.0
HB A:ILE137 4.1 22.4 1.0
CA A:GLN134 4.2 20.1 1.0
CG A:GLN134 4.2 26.8 1.0
CG A:LYS180 4.2 23.0 1.0
HB2 A:GLN134 4.3 28.6 1.0
CD1 A:ILE137 4.3 20.4 1.0
O A:HOH424 4.4 42.9 1.0
HE3 A:LYS180 4.4 28.6 1.0
CB A:GLN134 4.4 23.8 1.0
HB3 A:LYS180 4.5 23.0 1.0
HE21 A:GLN134 4.5 36.7 1.0
HG2 A:GLN134 4.7 32.2 1.0
HD2 A:LYS180 4.7 28.5 1.0
CE A:LYS180 4.7 23.8 1.0
CG2 A:ILE137 4.7 22.3 1.0
HG22 A:ILE137 4.8 26.8 1.0
HE2 A:LYS180 4.8 28.6 1.0
CB A:ILE137 4.8 18.7 1.0
O A:GLN134 4.8 22.6 1.0

Iodine binding site 3 out of 4 in 6dpa

Go back to Iodine Binding Sites List in 6dpa
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 4 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 4 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:61.5
occ:0.35
HD2 A:HIS172 2.9 23.5 1.0
HE3 A:LYS121 3.5 33.8 1.0
O A:HOH354 3.6 46.3 1.0
CD2 A:HIS172 3.7 19.6 1.0
HE2 A:LYS121 3.8 33.8 1.0
O A:HOH417 3.9 48.9 1.0
NE2 A:HIS172 4.1 22.9 1.0
CE A:LYS121 4.1 28.1 1.0
O A:HOH382 4.3 47.1 1.0
O A:HOH380 4.4 41.4 1.0
HD3 A:LYS121 4.7 27.7 1.0
CG A:HIS172 5.0 16.8 1.0
HZ1 A:LYS121 5.0 33.0 1.0
CD A:LYS121 5.0 23.1 1.0

Iodine binding site 4 out of 4 in 6dpa

Go back to Iodine Binding Sites List in 6dpa
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 4 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 4 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:36.2
occ:0.25
O A:HOH437 2.9 38.8 1.0
O A:HOH433 3.0 37.0 1.0
HG2 A:PRO177 3.0 25.6 1.0
HG3 A:PRO128 3.1 30.9 1.0
HD11 A:LEU179 3.1 25.7 1.0
HB3 A:PRO128 3.5 23.1 1.0
HB2 A:PRO177 3.5 25.4 1.0
CD1 A:ILE64 3.6 40.3 1.0
HD21 A:LEU179 3.7 26.4 1.0
CG A:PRO177 3.8 21.3 1.0
HB3 A:PRO177 3.9 25.4 1.0
CB A:PRO177 3.9 21.2 1.0
CG A:PRO128 4.0 25.8 1.0
CD1 A:LEU179 4.1 21.4 1.0
CB A:PRO128 4.2 19.3 1.0
O A:HOH438 4.3 50.1 1.0
HG3 A:PRO177 4.3 25.6 1.0
HD13 A:LEU179 4.4 25.7 1.0
HD3 A:PRO128 4.4 19.8 1.0
HB2 A:PRO128 4.5 23.1 1.0
CD2 A:LEU179 4.5 22.0 1.0
HG2 A:PRO128 4.6 30.9 1.0
HD12 A:LEU179 4.6 25.7 1.0
CG A:LEU179 4.8 19.0 1.0
HG A:LEU179 4.8 22.9 1.0
HD2 A:PRO177 4.8 23.4 1.0
CD A:PRO128 4.8 16.5 1.0
HD22 A:LEU179 4.8 26.4 1.0
O A:HOH436 4.9 58.7 1.0
CG1 A:ILE64 4.9 30.9 1.0
O A:HOH431 4.9 42.1 1.0
CD A:PRO177 4.9 19.5 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 23:01:05 2024

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