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Iodine in PDB 6dpf: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 40 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 40 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 40 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 40 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpf 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) 19.92 / 1.56
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.726, 37.610, 61.195, 90.00, 96.20, 90.00
R / Rfree (%) 16.2 / 20.7

Other elements in 6dpf:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 40 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 40 Mm MN2+ and 200 Mm K+ For 40 S at 21 C (pdb code 6dpf). 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 40 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpf:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in 6dpf

Go back to Iodine Binding Sites List in 6dpf
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 40 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 40 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:24.5
occ:0.70
HH A:TYR83 2.5 32.4 1.0
HD22 A:LEU161 3.1 30.4 1.0
HD22 A:LEU111 3.2 28.8 1.0
HE2 A:TYR83 3.3 24.3 1.0
OH A:TYR83 3.4 27.0 1.0
HB3 A:LEU161 3.4 24.4 1.0
HD3 A:ARG97 3.4 28.4 1.0
HD13 A:LEU161 3.4 33.6 1.0
HB3 A:LEU111 3.5 23.4 1.0
HD13 A:LEU111 3.5 26.1 1.0
O A:HOH386 3.5 24.5 1.0
O A:HOH346 3.6 25.1 1.0
HH11 A:ARG97 3.8 37.3 1.0
CE2 A:TYR83 4.1 20.2 1.0
C1 A:GOL212 4.1 52.8 1.0
CD2 A:LEU161 4.1 25.3 1.0
CD2 A:LEU111 4.2 24.0 1.0
CZ A:TYR83 4.2 21.6 1.0
CB A:LEU161 4.3 20.3 1.0
NH1 A:ARG97 4.3 31.1 1.0
CD1 A:LEU161 4.3 28.0 1.0
CB A:LEU111 4.4 19.5 1.0
O1 A:GOL212 4.4 40.2 1.0
CD1 A:LEU111 4.4 21.8 1.0
CD A:ARG97 4.4 23.6 1.0
CG A:LEU161 4.5 22.9 1.0
HG2 A:ARG97 4.5 27.6 1.0
CG A:LEU111 4.5 17.6 1.0
HD21 A:LEU161 4.6 30.4 1.0
HD23 A:LEU161 4.6 30.4 1.0
O A:HOH301 4.6 62.0 1.0
HH12 A:ARG97 4.6 37.3 1.0
HD21 A:LEU111 4.6 28.8 1.0
HD23 A:LEU111 4.7 28.8 1.0
HB2 A:HIS115 4.7 24.7 1.0
HB2 A:LEU161 4.8 24.4 1.0
HD11 A:LEU161 4.8 33.6 1.0
HD11 A:ILE100 4.8 27.7 1.0
HD11 A:LEU111 4.9 26.1 1.0
O A:HOH380 4.9 25.8 1.0
HB2 A:LEU111 4.9 23.4 1.0
HD12 A:LEU161 4.9 33.6 1.0
HD2 A:ARG97 4.9 28.4 1.0
CZ A:ARG97 5.0 33.4 1.0
CG A:ARG97 5.0 23.0 1.0
HD12 A:LEU111 5.0 26.1 1.0
NE A:ARG97 5.0 27.9 1.0

Iodine binding site 2 out of 5 in 6dpf

Go back to Iodine Binding Sites List in 6dpf
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 40 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 40 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:33.5
occ:0.40
HD3 A:LYS180 3.1 29.9 1.0
HB2 A:LYS180 3.2 26.5 1.0
HG3 A:GLN134 3.2 48.2 1.0
HA A:GLN134 3.3 30.5 1.0
O A:HOH360 3.4 29.8 1.0
O A:HOH435 3.4 43.4 1.0
O A:HOH387 3.5 33.5 1.0
HD12 A:ILE137 3.7 27.9 1.0
HG2 A:LYS180 3.9 32.1 1.0
CD A:LYS180 4.0 24.9 1.0
HD13 A:ILE137 4.0 27.9 1.0
CB A:LYS180 4.1 22.1 1.0
HB2 A:GLN134 4.1 37.9 1.0
HG21 A:ILE137 4.1 33.1 1.0
CG A:GLN134 4.1 40.2 1.0
O A:HOH437 4.1 54.2 1.0
CA A:GLN134 4.2 25.4 1.0
CG A:LYS180 4.2 26.7 1.0
HB A:ILE137 4.2 28.1 1.0
CB A:GLN134 4.3 31.6 1.0
CD1 A:ILE137 4.3 23.3 1.0
HE3 A:LYS180 4.4 31.0 1.0
HB3 A:LYS180 4.5 26.5 1.0
O A:HOH428 4.6 42.4 1.0
HD2 A:LYS180 4.7 29.9 1.0
HG2 A:GLN134 4.7 48.2 1.0
CE A:LYS180 4.7 25.9 1.0
CG2 A:ILE137 4.8 27.6 1.0
HE2 A:LYS180 4.8 31.0 1.0
HG22 A:ILE137 4.9 33.1 1.0
CB A:ILE137 4.9 23.4 1.0
O A:GLN134 4.9 25.4 1.0
CD A:GLN134 5.0 56.2 1.0

Iodine binding site 3 out of 5 in 6dpf

Go back to Iodine Binding Sites List in 6dpf
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 40 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 40 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:29.9
occ:0.25
O A:HOH443 2.9 52.5 1.0
HG2 A:PRO177 3.1 30.1 1.0
HD11 A:LEU179 3.2 33.1 1.0
CD1 A:ILE64 3.6 43.2 1.0
HB2 A:PRO177 3.6 29.2 1.0
HD21 A:LEU179 3.7 30.5 1.0
CG A:PRO177 3.9 25.1 1.0
HB3 A:PRO177 3.9 29.2 1.0
CB A:PRO177 4.0 24.3 1.0
CG A:PRO128 4.1 24.5 1.0
CB A:PRO128 4.1 19.9 1.0
CD1 A:LEU179 4.1 27.6 1.0
O A:HOH442 4.3 53.2 1.0
HG3 A:PRO177 4.4 30.1 1.0
HD13 A:LEU179 4.4 33.1 1.0
CD2 A:LEU179 4.6 25.4 1.0
HD12 A:LEU179 4.7 33.1 1.0
CG A:LEU179 4.8 24.3 1.0
CD A:PRO128 4.8 24.0 1.0
HD2 A:PRO177 4.8 26.7 1.0
HG A:LEU179 4.8 29.1 1.0
HD22 A:LEU179 4.9 30.5 1.0
CG1 A:ILE64 4.9 35.0 1.0
CD A:PRO177 5.0 22.2 1.0

Iodine binding site 4 out of 5 in 6dpf

Go back to Iodine Binding Sites List in 6dpf
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 40 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 40 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:45.2
occ:0.35
HD2 A:HIS172 2.9 31.3 1.0
HE3 A:LYS121 3.6 44.7 1.0
HE2 A:LYS121 3.7 44.7 1.0
CD2 A:HIS172 3.7 26.1 1.0
O A:HOH348 3.8 49.6 1.0
O A:HOH409 4.0 30.1 1.0
O A:HOH422 4.0 52.8 1.0
CE A:LYS121 4.1 37.3 1.0
NE2 A:HIS172 4.2 28.9 1.0
O A:HOH383 4.3 35.5 1.0
HD3 A:LYS121 4.6 34.9 1.0
CD A:LYS121 5.0 29.1 1.0
CG A:HIS172 5.0 21.2 1.0
HZ1 A:LYS121 5.0 42.8 1.0

Iodine binding site 5 out of 5 in 6dpf

Go back to Iodine Binding Sites List in 6dpf
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 40 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 40 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:38.0
occ:0.30
O A:HOH391 3.1 42.2 1.0
C3' b:G6 3.9 28.1 1.0
C2' b:G6 4.1 32.8 1.0
O A:ARG195 4.2 52.4 1.0
C5' b:G6 4.3 30.9 1.0
CB A:ARG195 4.3 37.8 1.0
C4' b:G6 4.7 27.0 1.0
CG A:ARG195 4.8 34.9 1.0
O3' b:G6 4.9 29.9 1.0
CD A:ARG195 4.9 47.5 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 23:02:47 2024

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