Manganese in PDB 6dpg: Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
Enzymatic activity of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 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 4 Mm MN2+ and 200 Mm K+ For 240 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 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C, PDB code: 6dpg
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)
|
19.95 /
1.38
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.645,
37.644,
61.962,
90.00,
96.64,
90.00
|
R / Rfree (%)
|
15.9 /
17.5
|
Other elements in 6dpg:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
(pdb code 6dpg). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C, PDB code: 6dpg:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 6dpg
Go back to
Manganese Binding Sites List in 6dpg
Manganese binding site 1 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn201
b:31.9
occ:0.40
|
O
|
A:HOH304
|
2.0
|
28.6
|
0.5
|
O
|
A:HOH403
|
2.0
|
38.3
|
0.5
|
OE1
|
A:GLU166
|
2.0
|
30.8
|
1.0
|
O
|
A:HOH409
|
2.2
|
33.2
|
1.0
|
OD1
|
A:ASP163
|
2.7
|
34.6
|
1.0
|
O
|
A:HOH308
|
2.8
|
42.5
|
1.0
|
CD
|
A:GLU166
|
3.1
|
29.2
|
1.0
|
HA
|
A:ASP163
|
3.3
|
29.0
|
1.0
|
HH22
|
A:ARG151
|
3.3
|
52.6
|
1.0
|
OE2
|
A:GLU166
|
3.4
|
28.9
|
1.0
|
NZ
|
A:LYS144
|
3.6
|
79.3
|
1.0
|
CG
|
A:ASP163
|
3.6
|
41.4
|
1.0
|
O
|
A:HOH349
|
3.8
|
43.5
|
1.0
|
NH2
|
A:ARG151
|
4.0
|
43.8
|
1.0
|
HH21
|
A:ARG151
|
4.0
|
52.6
|
1.0
|
HB2
|
A:GLU166
|
4.1
|
31.0
|
1.0
|
CA
|
A:ASP163
|
4.2
|
24.1
|
1.0
|
CB
|
A:ASP163
|
4.3
|
27.9
|
1.0
|
HB3
|
A:ASP163
|
4.3
|
33.5
|
1.0
|
CG
|
A:GLU166
|
4.4
|
25.0
|
1.0
|
HZ3
|
A:TRP159
|
4.4
|
37.2
|
1.0
|
HG12
|
A:VAL162
|
4.5
|
31.6
|
1.0
|
OD2
|
A:ASP163
|
4.5
|
41.5
|
1.0
|
CB
|
A:GLU166
|
4.7
|
25.8
|
1.0
|
HB3
|
A:GLU166
|
4.7
|
31.0
|
1.0
|
HG3
|
A:GLU166
|
4.7
|
30.0
|
1.0
|
CE
|
A:LYS144
|
4.8
|
75.3
|
1.0
|
N
|
A:ASP163
|
4.9
|
24.6
|
1.0
|
|
Manganese binding site 2 out
of 4 in 6dpg
Go back to
Manganese Binding Sites List in 6dpg
Manganese binding site 2 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn211
b:19.8
occ:0.90
|
OP3
|
b:C5
|
2.1
|
21.2
|
0.4
|
OD2
|
A:ASP71
|
2.1
|
22.0
|
1.0
|
O
|
A:HOH321
|
2.2
|
23.4
|
1.0
|
OD1
|
A:ASP192
|
2.2
|
23.8
|
1.0
|
O
|
A:HOH324
|
2.2
|
22.6
|
1.0
|
O
|
b:HOH203
|
2.2
|
28.4
|
0.6
|
OP1
|
b:C5
|
2.2
|
21.9
|
0.4
|
OP1
|
b:C5
|
2.3
|
20.1
|
0.2
|
OP1
|
b:C5
|
2.4
|
16.2
|
0.4
|
P
|
b:C5
|
2.8
|
17.7
|
0.4
|
CG
|
A:ASP71
|
3.2
|
20.9
|
1.0
|
HA
|
A:ASP192
|
3.2
|
28.5
|
1.0
|
CG
|
A:ASP192
|
3.2
|
24.3
|
1.0
|
P
|
b:C5
|
3.4
|
23.2
|
0.4
|
P
|
b:C5
|
3.5
|
21.7
|
0.2
|
OD1
|
A:ASP71
|
3.5
|
18.6
|
1.0
|
H
|
A:TYR193
|
3.6
|
30.9
|
1.0
|
OP2
|
b:C5
|
3.7
|
20.8
|
0.4
|
MN
|
A:MN212
|
3.8
|
20.3
|
1.0
|
HB2
|
A:ASP192
|
3.8
|
27.9
|
1.0
|
O
|
A:HOH384
|
3.8
|
33.5
|
1.0
|
OP2
|
b:C5
|
3.9
|
23.7
|
0.4
|
CB
|
A:ASP192
|
3.9
|
23.3
|
1.0
|
MN
|
b:MN101
|
3.9
|
28.4
|
0.4
|
O5'
|
b:C5
|
3.9
|
20.1
|
0.4
|
CA
|
A:ASP192
|
3.9
|
23.7
|
1.0
|
OP2
|
b:C5
|
4.0
|
23.6
|
0.2
|
OP2
|
b:G6
|
4.0
|
25.4
|
1.0
|
OD2
|
A:ASP132
|
4.1
|
30.2
|
1.0
|
O5'
|
b:C5
|
4.1
|
21.9
|
0.2
|
O5'
|
b:C5
|
4.1
|
22.5
|
0.4
|
O
|
A:VAL72
|
4.1
|
20.4
|
1.0
|
HG22
|
A:ILE189
|
4.1
|
27.0
|
1.0
|
OD2
|
A:ASP192
|
4.2
|
28.0
|
1.0
|
C5'
|
b:C5
|
4.3
|
23.1
|
1.0
|
N
|
A:TYR193
|
4.3
|
25.8
|
1.0
|
O
|
b:HOH208
|
4.4
|
38.1
|
1.0
|
O
|
b:HOH206
|
4.4
|
30.4
|
0.4
|
CB
|
A:ASP71
|
4.5
|
18.8
|
1.0
|
HB3
|
A:ASP71
|
4.5
|
22.6
|
1.0
|
OP3
|
b:C5
|
4.6
|
20.8
|
0.4
|
HD1
|
A:TYR193
|
4.7
|
28.4
|
1.0
|
HG21
|
A:ILE189
|
4.7
|
27.0
|
1.0
|
C
|
A:ASP192
|
4.7
|
23.8
|
1.0
|
O3'
|
B:U4
|
4.7
|
23.0
|
0.2
|
O
|
A:HOH310
|
4.8
|
49.6
|
1.0
|
HB2
|
A:ASP71
|
4.8
|
22.6
|
1.0
|
CG2
|
A:ILE189
|
4.8
|
22.5
|
1.0
|
HB3
|
A:ASP192
|
4.8
|
27.9
|
1.0
|
HB2
|
A:TYR193
|
4.8
|
32.0
|
1.0
|
HG23
|
A:ILE189
|
4.9
|
27.0
|
1.0
|
K
|
B:K101
|
5.0
|
30.8
|
0.4
|
|
Manganese binding site 3 out
of 4 in 6dpg
Go back to
Manganese Binding Sites List in 6dpg
Manganese binding site 3 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn212
b:20.3
occ:1.00
|
OP1
|
b:C5
|
2.0
|
16.2
|
0.4
|
OE1
|
A:GLU109
|
2.0
|
19.6
|
1.0
|
OD1
|
A:ASP71
|
2.1
|
18.6
|
1.0
|
OD1
|
A:ASP132
|
2.1
|
21.6
|
1.0
|
OP1
|
b:C5
|
2.1
|
20.1
|
0.2
|
OP1
|
b:C5
|
2.1
|
21.9
|
0.4
|
OP3
|
b:C5
|
2.4
|
20.8
|
0.4
|
O3'
|
B:U4
|
2.7
|
23.0
|
0.2
|
CG
|
A:ASP132
|
2.8
|
22.8
|
1.0
|
OD2
|
A:ASP132
|
2.8
|
30.2
|
1.0
|
P
|
b:C5
|
2.8
|
23.2
|
0.4
|
P
|
b:C5
|
3.0
|
21.7
|
0.2
|
CD
|
A:GLU109
|
3.0
|
19.2
|
1.0
|
CG
|
A:ASP71
|
3.1
|
20.9
|
1.0
|
OE2
|
A:GLU109
|
3.3
|
20.8
|
1.0
|
O
|
A:HOH335
|
3.4
|
20.8
|
1.0
|
P
|
b:C5
|
3.5
|
17.7
|
0.4
|
C3'
|
B:U4
|
3.5
|
19.1
|
0.4
|
OD2
|
A:ASP71
|
3.6
|
22.0
|
1.0
|
HG12
|
A:VAL72
|
3.6
|
23.6
|
1.0
|
O3'
|
B:U4
|
3.6
|
18.3
|
0.4
|
H
|
A:VAL72
|
3.8
|
22.4
|
1.0
|
MN
|
A:MN211
|
3.8
|
19.8
|
0.9
|
OP2
|
b:C5
|
3.9
|
20.8
|
0.4
|
C3'
|
B:U4
|
3.9
|
21.7
|
0.2
|
O5'
|
b:C5
|
3.9
|
22.5
|
0.4
|
O
|
A:HOH321
|
3.9
|
23.4
|
1.0
|
C5'
|
b:C5
|
4.0
|
23.1
|
1.0
|
O5'
|
b:C5
|
4.0
|
21.9
|
0.2
|
HA
|
A:ASP71
|
4.1
|
20.9
|
1.0
|
OP2
|
b:C5
|
4.1
|
23.6
|
0.2
|
O5'
|
b:C5
|
4.1
|
20.1
|
0.4
|
OP2
|
b:C5
|
4.1
|
23.7
|
0.4
|
CB
|
A:ASP132
|
4.2
|
19.9
|
1.0
|
HB2
|
A:SER133
|
4.2
|
25.8
|
1.0
|
H
|
A:ASP132
|
4.2
|
22.9
|
1.0
|
C4'
|
B:U4
|
4.3
|
22.6
|
0.2
|
CB
|
A:ASP71
|
4.4
|
18.8
|
1.0
|
CG
|
A:GLU109
|
4.4
|
19.6
|
1.0
|
C5'
|
B:U4
|
4.4
|
19.4
|
0.2
|
OP3
|
b:C5
|
4.4
|
21.2
|
0.4
|
HG21
|
A:ILE189
|
4.5
|
27.0
|
1.0
|
C4'
|
B:U4
|
4.5
|
21.9
|
0.4
|
C2'
|
B:U4
|
4.5
|
19.3
|
0.4
|
CG1
|
A:VAL72
|
4.5
|
19.6
|
1.0
|
HG3
|
A:GLU109
|
4.5
|
23.6
|
1.0
|
N
|
A:VAL72
|
4.6
|
18.7
|
1.0
|
O2'
|
B:U4
|
4.6
|
14.9
|
0.2
|
C5'
|
B:U4
|
4.6
|
19.4
|
0.4
|
HB2
|
A:ASP71
|
4.7
|
22.6
|
1.0
|
HB2
|
A:ASP132
|
4.7
|
23.9
|
1.0
|
CA
|
A:ASP71
|
4.7
|
17.4
|
1.0
|
HG2
|
A:GLU109
|
4.7
|
23.6
|
1.0
|
O2'
|
B:U4
|
4.7
|
19.6
|
0.4
|
HB3
|
A:ASP132
|
4.7
|
23.9
|
1.0
|
C
|
A:ASP132
|
4.8
|
21.1
|
1.0
|
HG13
|
A:VAL72
|
4.8
|
23.6
|
1.0
|
CA
|
A:ASP132
|
4.8
|
20.5
|
1.0
|
O
|
A:VAL72
|
4.9
|
20.4
|
1.0
|
O
|
b:HOH203
|
4.9
|
28.4
|
0.6
|
C2'
|
B:U4
|
4.9
|
19.5
|
0.2
|
N
|
A:ASP132
|
4.9
|
19.1
|
1.0
|
O
|
A:HOH324
|
4.9
|
22.6
|
1.0
|
HG11
|
A:VAL72
|
4.9
|
23.6
|
1.0
|
N
|
A:SER133
|
4.9
|
19.8
|
1.0
|
K
|
B:K101
|
4.9
|
30.8
|
0.4
|
HG22
|
A:ILE189
|
5.0
|
27.0
|
1.0
|
|
Manganese binding site 4 out
of 4 in 6dpg
Go back to
Manganese Binding Sites List in 6dpg
Manganese binding site 4 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
b:Mn101
b:28.4
occ:0.40
|
O
|
b:HOH203
|
1.9
|
28.4
|
0.6
|
O
|
b:HOH207
|
2.2
|
29.4
|
0.4
|
O
|
A:HOH395
|
2.2
|
31.8
|
0.4
|
O
|
A:HOH384
|
2.2
|
33.5
|
1.0
|
OP3
|
b:C5
|
2.2
|
21.2
|
0.4
|
O
|
b:HOH206
|
2.3
|
30.4
|
0.4
|
OP2
|
b:G6
|
2.4
|
25.4
|
1.0
|
P
|
b:C5
|
3.4
|
17.7
|
0.4
|
O5'
|
b:C5
|
3.6
|
20.1
|
0.4
|
P
|
b:G6
|
3.6
|
23.1
|
1.0
|
O5'
|
b:G6
|
3.7
|
26.3
|
1.0
|
O
|
A:HOH310
|
3.7
|
49.6
|
1.0
|
O5'
|
b:C5
|
3.8
|
21.9
|
0.2
|
O
|
A:HOH324
|
3.9
|
22.6
|
1.0
|
OP2
|
b:C5
|
3.9
|
23.7
|
0.4
|
MN
|
A:MN211
|
3.9
|
19.8
|
0.9
|
O5'
|
b:C5
|
3.9
|
22.5
|
0.4
|
OP2
|
b:C5
|
4.0
|
23.6
|
0.2
|
OP2
|
b:C5
|
4.0
|
20.8
|
0.4
|
OD1
|
A:ASP192
|
4.1
|
23.8
|
1.0
|
C
|
A:ARG195
|
4.2
|
61.3
|
0.5
|
P
|
b:C5
|
4.3
|
21.7
|
0.2
|
P
|
b:C5
|
4.3
|
23.2
|
0.4
|
OP1
|
b:C5
|
4.4
|
21.9
|
0.4
|
OP1
|
b:C5
|
4.4
|
20.1
|
0.2
|
C3'
|
b:C5
|
4.5
|
21.2
|
1.0
|
C5'
|
b:C5
|
4.5
|
23.1
|
1.0
|
O3'
|
b:C5
|
4.6
|
20.8
|
1.0
|
OP1
|
b:C5
|
4.6
|
16.2
|
0.4
|
O
|
b:HOH201
|
4.6
|
33.7
|
1.0
|
OP1
|
b:G6
|
4.7
|
21.6
|
1.0
|
O
|
A:ARG195
|
4.7
|
72.8
|
0.5
|
C5'
|
b:G6
|
4.9
|
28.6
|
1.0
|
N
|
A:ARG195
|
5.0
|
67.0
|
0.5
|
|
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 Oct 6 04:07:49 2024
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