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Iodine in PDB 6dpd: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 16 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 16 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 16 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 16 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpd 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) 19.84 / 1.46
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.324, 37.988, 61.323, 90.00, 96.32, 90.00
R / Rfree (%) 15.1 / 17.3

Other elements in 6dpd:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 16 Mm MN2+ and 200 Mm K+ For 40 S at 21 C also contains other interesting chemical elements:

Potassium (K) 1 atom
Manganese (Mn) 6 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 16 Mm MN2+ and 200 Mm K+ For 40 S at 21 C (pdb code 6dpd). 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 16 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpd:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in 6dpd

Go back to Iodine Binding Sites List in 6dpd
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 16 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 16 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:19.9
occ:0.65
HH A:TYR83 2.6 24.6 1.0
HD22 A:LEU161 3.2 29.0 1.0
HD22 A:LEU111 3.3 24.9 1.0
HE2 A:TYR83 3.4 22.6 1.0
OH A:TYR83 3.4 20.5 1.0
HB3 A:LEU161 3.4 23.6 1.0
HD13 A:LEU161 3.4 30.8 1.0
HD13 A:LEU111 3.4 24.9 1.0
HB3 A:LEU111 3.5 17.7 1.0
O A:HOH390 3.5 22.1 1.0
HD3 A:ARG97 3.5 29.7 1.0
O A:HOH369 3.5 22.9 1.0
HH11 A:ARG97 3.8 45.2 1.0
CD2 A:LEU161 4.1 24.2 1.0
CE2 A:TYR83 4.1 18.9 1.0
C1 A:GOL213 4.1 50.9 1.0
CZ A:TYR83 4.2 17.2 1.0
CD2 A:LEU111 4.2 20.8 1.0
NH1 A:ARG97 4.3 37.6 1.0
CD1 A:LEU161 4.3 25.7 1.0
CB A:LEU161 4.3 19.7 1.0
CD1 A:LEU111 4.3 20.8 1.0
O1 A:GOL213 4.4 47.9 1.0
CB A:LEU111 4.4 14.7 1.0
CG A:LEU161 4.4 22.9 1.0
HG2 A:ARG97 4.5 28.4 1.0
CD A:ARG97 4.5 24.8 1.0
O A:HOH302 4.5 47.6 1.0
CG A:LEU111 4.6 16.9 1.0
HH12 A:ARG97 4.6 45.2 1.0
HD21 A:LEU161 4.6 29.0 1.0
HD23 A:LEU161 4.6 29.0 1.0
HB2 A:HIS115 4.7 21.1 1.0
HD21 A:LEU111 4.7 24.9 1.0
HD11 A:ILE100 4.7 29.6 1.0
HD11 A:LEU161 4.8 30.8 1.0
HD23 A:LEU111 4.8 24.9 1.0
HB2 A:LEU161 4.8 23.6 1.0
HD11 A:LEU111 4.8 24.9 1.0
O A:HOH393 4.9 24.8 1.0
HD12 A:LEU161 4.9 30.8 1.0
HB2 A:LEU111 4.9 17.7 1.0
HD12 A:LEU111 4.9 24.9 1.0
CZ A:ARG97 4.9 30.2 1.0

Iodine binding site 2 out of 5 in 6dpd

Go back to Iodine Binding Sites List in 6dpd
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 16 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 16 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:32.5
occ:0.40
HD3 A:LYS180 3.2 27.2 1.0
O A:HOH360 3.2 27.6 1.0
HG3 A:GLN134 3.3 37.6 1.0
HB2 A:LYS180 3.3 25.8 1.0
HA A:GLN134 3.3 28.7 1.0
O A:HOH447 3.3 43.4 1.0
O A:HOH374 3.5 33.6 1.0
HD12 A:ILE137 3.6 25.7 1.0
HG2 A:LYS180 4.0 28.9 1.0
HB2 A:GLN134 4.0 33.9 1.0
O A:HOH445 4.0 60.8 1.0
CD A:LYS180 4.1 22.7 1.0
HG21 A:ILE137 4.1 30.4 1.0
CB A:LYS180 4.1 21.5 1.0
CG A:GLN134 4.1 31.4 1.0
CA A:GLN134 4.1 23.9 1.0
HD13 A:ILE137 4.1 25.7 1.0
HB A:ILE137 4.2 23.9 1.0
CG A:LYS180 4.3 24.1 1.0
CB A:GLN134 4.3 28.2 1.0
CD1 A:ILE137 4.4 21.4 1.0
O A:HOH441 4.4 57.8 1.0
HB3 A:LYS180 4.5 25.8 1.0
HE3 A:LYS180 4.5 30.6 1.0
HE21 A:GLN134 4.5 41.1 1.0
HG2 A:GLN134 4.7 37.6 1.0
HD2 A:LYS180 4.8 27.2 1.0
CE A:LYS180 4.8 25.5 1.0
CG2 A:ILE137 4.8 25.3 1.0
HE2 A:LYS180 4.8 30.6 1.0
O A:GLN134 4.9 23.5 1.0
HG22 A:ILE137 4.9 30.4 1.0
CB A:ILE137 4.9 20.0 1.0

Iodine binding site 3 out of 5 in 6dpd

Go back to Iodine Binding Sites List in 6dpd
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 16 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 16 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:30.4
occ:0.25
O A:HOH454 2.9 45.3 1.0
O A:HOH449 3.0 39.8 1.0
HG2 A:PRO177 3.1 30.4 1.0
HD11 A:LEU179 3.1 27.5 1.0
CD1 A:ILE64 3.6 44.3 1.0
HB2 A:PRO177 3.6 29.5 1.0
HD21 A:LEU179 3.8 30.3 1.0
CG A:PRO177 3.9 25.3 1.0
HB3 A:PRO177 4.0 29.5 1.0
CB A:PRO177 4.0 24.6 1.0
CD1 A:LEU179 4.1 22.9 1.0
CG A:PRO128 4.1 22.4 1.0
CB A:PRO128 4.2 22.1 1.0
O A:HOH455 4.3 52.9 1.0
HG3 A:PRO177 4.3 30.4 1.0
HD13 A:LEU179 4.4 27.5 1.0
CD2 A:LEU179 4.6 25.2 1.0
HD12 A:LEU179 4.6 27.5 1.0
CD A:PRO128 4.8 17.2 1.0
CG A:LEU179 4.8 23.8 1.0
HG A:LEU179 4.8 28.5 1.0
HD2 A:PRO177 4.9 27.2 1.0
HD22 A:LEU179 4.9 30.3 1.0
CG1 A:ILE64 4.9 38.3 1.0

Iodine binding site 4 out of 5 in 6dpd

Go back to Iodine Binding Sites List in 6dpd
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 16 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 16 Mm MN2+ and 200 Mm K+ For 40 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I210

b:50.7
occ:0.35
HD2 A:HIS172 2.9 26.0 1.0
HE3 A:LYS121 3.5 39.5 1.0
HE2 A:LYS121 3.6 39.5 1.0
CD2 A:HIS172 3.7 21.7 1.0
O A:HOH336 3.7 51.4 1.0
O A:HOH411 3.9 39.1 1.0
CE A:LYS121 4.0 32.9 1.0
NE2 A:HIS172 4.1 26.0 1.0
O A:HOH418 4.2 51.2 1.0
O A:HOH399 4.3 32.9 1.0
HD3 A:LYS121 4.7 30.2 1.0
HZ1 A:LYS121 4.8 38.7 1.0
CD A:LYS121 5.0 25.2 1.0
CG A:HIS172 5.0 18.0 1.0

Iodine binding site 5 out of 5 in 6dpd

Go back to Iodine Binding Sites List in 6dpd
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 16 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 16 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:36.2
occ:0.30
O A:HOH387 3.1 40.4 1.0
C3' b:G6 3.9 24.8 1.0
C2' b:G6 4.1 25.8 1.0
O A:ARG195 4.2 44.2 1.0
CB A:ARG195 4.2 35.1 1.0
C5' b:G6 4.3 24.3 1.0
C4' b:G6 4.7 23.6 1.0
CG A:ARG195 4.8 33.9 1.0
CD A:ARG195 4.9 45.4 1.0
O3' b:G6 4.9 28.6 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 23:02:26 2024

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