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Magnesium in PDB 6dpo: Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C

Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C

All present enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C:
3.1.26.4;

Protein crystallography data

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C, PDB code: 6dpo 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 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.296, 38.002, 61.869, 90.00, 96.06, 90.00
R / Rfree (%) 15.9 / 18.6

Other elements in 6dpo:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C also contains other interesting chemical elements:

Potassium (K) 1 atom
Iodine (I) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C (pdb code 6dpo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C, PDB code: 6dpo:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 6dpo

Go back to Magnesium Binding Sites List in 6dpo
Magnesium binding site 1 out of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:25.9
occ:0.80
OP1 b:C5 1.9 27.8 0.6
OD2 A:ASP71 2.0 25.4 1.0
OD1 A:ASP192 2.0 36.3 1.0
OP1 b:C5 2.0 56.4 0.4
O A:HOH314 2.1 27.8 1.0
O A:HOH315 2.1 28.4 1.0
O b:HOH201 2.3 31.3 0.6
OP3 b:C5 3.0 35.8 0.4
P b:C5 3.0 65.2 0.4
CG A:ASP71 3.0 22.1 1.0
CG A:ASP192 3.1 33.5 1.0
P b:C5 3.2 25.5 0.6
HA A:ASP192 3.2 35.4 1.0
OD1 A:ASP71 3.3 22.5 1.0
H A:TYR193 3.4 34.6 1.0
OP2 b:C5 3.6 61.6 0.6
MG A:MG202 3.8 26.9 1.0
HB2 A:ASP192 3.8 40.1 1.0
OP2 b:C5 3.8 21.7 0.4
CB A:ASP192 3.8 33.4 1.0
CA A:ASP192 3.9 29.5 1.0
O A:HOH302 4.0 46.1 1.0
OD2 A:ASP192 4.1 34.7 1.0
HG22 A:ILE189 4.1 28.9 1.0
O A:VAL72 4.1 22.6 1.0
OP2 b:G6 4.1 24.1 0.6
N A:TYR193 4.1 28.9 1.0
O5' b:C5 4.1 40.2 0.6
O A:HOH307 4.2 28.2 0.3
O3' B:U4 4.3 27.6 1.0
O5' b:C5 4.3 19.6 0.4
OD2 A:ASP132 4.3 26.6 1.0
CB A:ASP71 4.3 20.0 1.0
O A:HOH419 4.4 40.2 1.0
HB3 A:ASP71 4.4 24.0 1.0
C5' b:C5 4.5 26.9 0.6
C5' b:C5 4.5 21.9 0.4
C A:ASP192 4.6 34.9 1.0
HG21 A:ILE189 4.6 28.9 1.0
HB2 A:ASP71 4.6 24.0 1.0
HB2 A:TYR193 4.7 45.5 1.0
MG b:MG101 4.7 39.9 0.4
HD1 A:TYR193 4.7 31.0 1.0
CG2 A:ILE189 4.7 24.1 1.0
HB3 A:ASP192 4.8 40.1 1.0
H A:VAL72 4.9 25.3 1.0
HG23 A:ILE189 4.9 28.9 1.0

Magnesium binding site 2 out of 3 in 6dpo

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Magnesium binding site 2 out of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:26.9
occ:1.00
OD1 A:ASP71 2.1 22.5 1.0
OE1 A:GLU109 2.2 26.6 1.0
OD1 A:ASP132 2.3 23.5 1.0
O3' B:U4 2.6 27.6 1.0
OP1 b:C5 2.6 27.8 0.6
OP1 b:C5 2.8 56.4 0.4
CD A:GLU109 3.1 22.8 1.0
CG A:ASP132 3.1 23.7 1.0
OD2 A:ASP132 3.1 26.6 1.0
CG A:ASP71 3.1 22.1 1.0
OE2 A:GLU109 3.2 22.0 1.0
P b:C5 3.2 25.5 0.6
O A:HOH340 3.3 21.5 1.0
HG12 A:VAL72 3.5 28.4 1.0
OD2 A:ASP71 3.6 25.4 1.0
H A:VAL72 3.7 25.3 1.0
O A:HOH315 3.7 28.4 1.0
MG A:MG201 3.8 25.9 0.8
C3' B:U4 3.8 27.9 1.0
HA A:ASP71 4.0 24.2 1.0
O2' B:U4 4.0 24.7 1.0
P b:C5 4.0 65.2 0.4
C5' b:C5 4.0 26.9 0.6
C5' b:C5 4.1 21.9 0.4
O5' b:C5 4.1 40.2 0.6
C4' B:U4 4.2 23.4 1.0
HB2 A:SER133 4.2 23.8 1.0
O5' b:C5 4.2 19.6 0.4
H A:ASP132 4.3 21.7 1.0
CB A:ASP71 4.4 20.0 1.0
OP2 b:C5 4.4 61.6 0.6
CG1 A:VAL72 4.4 23.7 1.0
HG21 A:ILE189 4.4 28.9 1.0
N A:VAL72 4.5 21.1 1.0
CG A:GLU109 4.5 19.1 1.0
C2' B:U4 4.5 23.3 1.0
CB A:ASP132 4.5 21.2 1.0
HB2 A:ASP71 4.6 24.0 1.0
CA A:ASP71 4.6 20.2 1.0
HG3 A:GLU109 4.7 22.9 1.0
HG13 A:VAL72 4.8 28.4 1.0
O A:HOH314 4.8 27.8 1.0
OP2 b:C5 4.8 21.7 0.4
HG2 A:GLU109 4.8 22.9 1.0
C5' B:U4 4.8 26.8 1.0
HG11 A:VAL72 4.8 28.4 1.0
O A:VAL72 4.9 22.6 1.0
HB3 A:ASP132 5.0 25.4 1.0
HG22 A:ILE189 5.0 28.9 1.0
N A:ASP132 5.0 18.1 1.0

Magnesium binding site 3 out of 3 in 6dpo

Go back to Magnesium Binding Sites List in 6dpo
Magnesium binding site 3 out of 3 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 2 Mm MG2+ and 200 Mm K+ For 360 S at 21 C within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Mg101

b:39.9
occ:0.40
O b:HOH202 1.9 51.8 1.0
OP2 b:G6 2.0 43.8 0.4
OP2 b:G6 2.0 24.1 0.6
OP3 b:C5 2.1 35.8 0.4
O b:HOH205 2.2 54.1 1.0
O A:HOH302 2.7 46.1 1.0
O5' b:G6 2.7 26.2 0.6
O b:HOH201 2.9 31.3 0.6
P b:G6 3.0 24.2 0.6
P b:G6 3.2 61.9 0.4
P b:C5 3.5 65.2 0.4
OP1 b:G6 3.7 26.2 0.4
OP2 b:C5 3.8 21.7 0.4
C5' b:G6 3.9 26.3 0.6
O A:HOH307 4.0 28.2 0.3
O3' b:C5 4.0 34.7 0.4
O3' b:C5 4.0 22.2 0.6
O5' b:C5 4.0 40.2 0.6
O A:HOH314 4.0 27.8 1.0
O5' b:C5 4.1 19.6 0.4
OP1 b:G6 4.1 26.9 0.6
C3' b:C5 4.1 23.3 1.0
OP2 b:C5 4.1 61.6 0.6
O5' b:G6 4.4 69.0 0.4
P b:C5 4.5 25.5 0.6
C5' b:G6 4.5 25.2 0.4
OP1 b:C5 4.5 56.4 0.4
OP1 b:C5 4.6 27.8 0.6
MG A:MG201 4.7 25.9 0.8
O A:TYR193 4.7 85.8 1.0
C5' b:C5 4.7 21.9 0.4
C8 b:G6 4.7 27.2 0.6
C5' b:C5 4.7 26.9 0.6
OD1 A:ASP192 4.8 36.3 1.0
O4' b:G6 4.9 23.8 0.6
C4' b:C5 5.0 21.7 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: Mon Sep 30 23:26:33 2024

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