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:
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
Go back to
Magnesium Binding Sites List in 6dpo
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
|