Manganese 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:
Manganese Binding Sites:
The binding sites of Manganese 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 Manganese atom.
In total 5 binding sites of Manganese 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 Manganese binding site number:
1;
2;
3;
4;
5;
Manganese binding site 1 out
of 5 in 6dpf
Go back to
Manganese Binding Sites List in 6dpf
Manganese 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 Manganese with other atoms in the Mn 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:Mn201
b:23.6
occ:1.00
|
OD2
|
A:ASP71
|
2.0
|
20.9
|
1.0
|
O
|
A:HOH343
|
2.1
|
21.5
|
1.0
|
OD1
|
A:ASP192
|
2.1
|
24.5
|
1.0
|
OP3
|
b:C5
|
2.2
|
24.1
|
1.0
|
O
|
A:HOH330
|
2.2
|
24.1
|
1.0
|
OP1
|
b:C5
|
2.5
|
21.5
|
1.0
|
P
|
b:C5
|
2.9
|
23.9
|
1.0
|
HA
|
A:ASP192
|
3.0
|
30.3
|
1.0
|
CG
|
A:ASP71
|
3.1
|
22.7
|
1.0
|
CG
|
A:ASP192
|
3.2
|
25.0
|
1.0
|
HB2
|
A:ASP192
|
3.4
|
28.4
|
1.0
|
H
|
A:TYR193
|
3.4
|
31.9
|
1.0
|
OD1
|
A:ASP71
|
3.5
|
21.8
|
1.0
|
CB
|
A:ASP192
|
3.6
|
23.6
|
1.0
|
CA
|
A:ASP192
|
3.7
|
25.2
|
1.0
|
MN
|
A:MN202
|
3.8
|
22.3
|
1.0
|
OP2
|
b:G6
|
4.0
|
28.1
|
1.0
|
OP2
|
b:C5
|
4.0
|
23.8
|
1.0
|
O5'
|
b:C5
|
4.0
|
26.4
|
1.0
|
NZ
|
A:LYS196
|
4.0
|
29.6
|
1.0
|
OD2
|
A:ASP132
|
4.0
|
28.2
|
1.0
|
O
|
b:HOH201
|
4.0
|
30.9
|
1.0
|
HG22
|
A:ILE189
|
4.1
|
27.9
|
1.0
|
O
|
A:VAL72
|
4.1
|
24.4
|
1.0
|
N
|
A:TYR193
|
4.2
|
26.6
|
1.0
|
C5'
|
b:C5
|
4.2
|
27.4
|
1.0
|
OD2
|
A:ASP192
|
4.2
|
27.0
|
1.0
|
OE2
|
A:GLU188
|
4.3
|
36.2
|
1.0
|
CB
|
A:ASP71
|
4.4
|
19.5
|
1.0
|
HD1
|
A:TYR193
|
4.5
|
33.6
|
1.0
|
C
|
A:ASP192
|
4.5
|
27.7
|
1.0
|
HB3
|
A:ASP192
|
4.5
|
28.4
|
1.0
|
HG21
|
A:ILE189
|
4.7
|
27.9
|
1.0
|
CG2
|
A:ILE189
|
4.8
|
23.2
|
1.0
|
K
|
A:K217
|
4.8
|
35.2
|
0.6
|
N
|
A:ASP192
|
4.8
|
26.4
|
1.0
|
HB2
|
A:TYR193
|
4.9
|
33.1
|
1.0
|
HG23
|
A:ILE189
|
5.0
|
27.9
|
1.0
|
|
Manganese binding site 2 out
of 5 in 6dpf
Go back to
Manganese Binding Sites List in 6dpf
Manganese 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 Manganese with other atoms in the Mn 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:Mn202
b:22.3
occ:1.00
|
OD1
|
A:ASP132
|
2.0
|
23.5
|
1.0
|
OP1
|
b:C5
|
2.0
|
21.5
|
1.0
|
OE1
|
A:GLU109
|
2.0
|
22.4
|
1.0
|
OD1
|
A:ASP71
|
2.1
|
21.8
|
1.0
|
OD2
|
A:ASP132
|
2.6
|
28.2
|
1.0
|
CG
|
A:ASP132
|
2.6
|
23.0
|
1.0
|
CD
|
A:GLU109
|
3.0
|
22.6
|
1.0
|
CG
|
A:ASP71
|
3.0
|
22.7
|
1.0
|
O
|
A:HOH336
|
3.2
|
22.2
|
1.0
|
OE2
|
A:GLU109
|
3.3
|
24.3
|
1.0
|
OD2
|
A:ASP71
|
3.4
|
20.9
|
1.0
|
P
|
b:C5
|
3.5
|
23.9
|
1.0
|
HG12
|
A:VAL72
|
3.5
|
27.4
|
1.0
|
C3'
|
B:U4
|
3.6
|
27.1
|
1.0
|
O3'
|
B:U4
|
3.6
|
28.4
|
1.0
|
MN
|
A:MN201
|
3.8
|
23.6
|
1.0
|
H
|
A:VAL72
|
3.8
|
24.0
|
1.0
|
O
|
A:HOH330
|
3.9
|
24.1
|
1.0
|
C5'
|
b:C5
|
4.1
|
27.4
|
1.0
|
OP2
|
b:C5
|
4.1
|
23.8
|
1.0
|
H
|
A:ASP132
|
4.1
|
26.6
|
1.0
|
O5'
|
b:C5
|
4.1
|
26.4
|
1.0
|
CB
|
A:ASP132
|
4.1
|
23.3
|
1.0
|
HB2
|
A:SER133
|
4.3
|
30.8
|
1.0
|
CB
|
A:ASP71
|
4.3
|
19.5
|
1.0
|
OP3
|
b:C5
|
4.4
|
24.1
|
1.0
|
CG
|
A:GLU109
|
4.4
|
20.2
|
1.0
|
HG21
|
A:ILE189
|
4.4
|
27.9
|
1.0
|
CG1
|
A:VAL72
|
4.5
|
22.8
|
1.0
|
C4'
|
B:U4
|
4.5
|
26.7
|
1.0
|
HG3
|
A:GLU109
|
4.5
|
24.2
|
1.0
|
N
|
A:VAL72
|
4.6
|
20.0
|
1.0
|
HB2
|
A:ASP132
|
4.6
|
28.0
|
1.0
|
HB3
|
A:ASP132
|
4.6
|
28.0
|
1.0
|
CA
|
A:ASP71
|
4.6
|
15.9
|
1.0
|
C2'
|
B:U4
|
4.6
|
25.6
|
1.0
|
HG2
|
A:GLU109
|
4.7
|
24.2
|
1.0
|
HG13
|
A:VAL72
|
4.8
|
27.4
|
1.0
|
C5'
|
B:U4
|
4.8
|
24.9
|
1.0
|
HG22
|
A:ILE189
|
4.8
|
27.9
|
1.0
|
N
|
A:ASP132
|
4.8
|
22.2
|
1.0
|
CA
|
A:ASP132
|
4.8
|
26.0
|
1.0
|
HG11
|
A:VAL72
|
4.9
|
27.4
|
1.0
|
O2'
|
B:U4
|
4.9
|
27.4
|
1.0
|
C
|
A:ASP132
|
4.9
|
25.9
|
1.0
|
O
|
A:HOH343
|
4.9
|
21.5
|
1.0
|
O
|
A:VAL72
|
4.9
|
24.4
|
1.0
|
N
|
A:SER133
|
5.0
|
23.5
|
1.0
|
|
Manganese binding site 3 out
of 5 in 6dpf
Go back to
Manganese Binding Sites List in 6dpf
Manganese 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 Manganese with other atoms in the Mn 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:Mn203
b:26.9
occ:0.60
|
OE1
|
A:GLU166
|
2.1
|
29.7
|
1.0
|
O
|
A:HOH395
|
2.1
|
33.6
|
1.0
|
OD1
|
A:ASP163
|
2.3
|
32.7
|
1.0
|
O
|
A:HOH331
|
2.4
|
33.0
|
1.0
|
CD
|
A:GLU166
|
3.1
|
34.6
|
1.0
|
HA
|
A:ASP163
|
3.3
|
26.0
|
1.0
|
OE2
|
A:GLU166
|
3.4
|
28.5
|
1.0
|
CG
|
A:ASP163
|
3.4
|
37.0
|
1.0
|
NH2
|
A:ARG151
|
4.1
|
36.9
|
1.0
|
O
|
A:HOH364
|
4.1
|
37.0
|
1.0
|
CA
|
A:ASP163
|
4.2
|
21.6
|
1.0
|
HB2
|
A:GLU166
|
4.2
|
34.0
|
1.0
|
NZ
|
A:LYS144
|
4.2
|
85.7
|
1.0
|
CB
|
A:ASP163
|
4.2
|
27.2
|
1.0
|
OD2
|
A:ASP163
|
4.2
|
33.4
|
1.0
|
HZ3
|
A:TRP159
|
4.2
|
31.7
|
1.0
|
HB3
|
A:ASP163
|
4.3
|
32.7
|
1.0
|
CG
|
A:GLU166
|
4.4
|
30.2
|
1.0
|
HG12
|
A:VAL162
|
4.6
|
32.3
|
1.0
|
CB
|
A:GLU166
|
4.7
|
28.4
|
1.0
|
HB3
|
A:GLU166
|
4.7
|
34.0
|
1.0
|
HG3
|
A:GLU166
|
4.8
|
36.2
|
1.0
|
N
|
A:ASP163
|
4.9
|
23.7
|
1.0
|
CD
|
A:LYS144
|
5.0
|
50.4
|
1.0
|
|
Manganese binding site 4 out
of 5 in 6dpf
Go back to
Manganese Binding Sites List in 6dpf
Manganese 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 Manganese with other atoms in the Mn 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:Mn204
b:35.8
occ:0.40
|
O
|
A:LYS196
|
2.2
|
85.1
|
1.0
|
O
|
A:HOH398
|
2.7
|
53.9
|
1.0
|
C
|
A:LYS196
|
3.3
|
77.0
|
1.0
|
OXT
|
A:LYS196
|
3.7
|
66.8
|
1.0
|
MN
|
b:MN101
|
3.9
|
54.3
|
0.6
|
CA
|
A:LYS196
|
4.6
|
53.5
|
1.0
|
|
Manganese binding site 5 out
of 5 in 6dpf
Go back to
Manganese Binding Sites List in 6dpf
Manganese 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 Manganese with other atoms in the Mn 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:Mn101
b:54.3
occ:0.60
|
O
|
b:HOH203
|
2.4
|
59.4
|
1.0
|
O6
|
b:G6
|
2.8
|
39.5
|
1.0
|
N7
|
b:G6
|
3.5
|
38.0
|
1.0
|
C6
|
b:G6
|
3.6
|
30.9
|
1.0
|
O
|
A:LYS196
|
3.8
|
85.1
|
1.0
|
MN
|
A:MN204
|
3.9
|
35.8
|
0.4
|
C5
|
b:G6
|
3.9
|
31.8
|
1.0
|
CB
|
A:LYS196
|
4.6
|
42.3
|
1.0
|
O
|
b:HOH204
|
4.6
|
35.6
|
1.0
|
C8
|
b:G6
|
4.7
|
38.2
|
1.0
|
C
|
A:LYS196
|
4.7
|
77.0
|
1.0
|
N4
|
C:DC1
|
4.8
|
33.9
|
1.0
|
N1
|
b:G6
|
4.9
|
31.4
|
1.0
|
N4
|
b:C5
|
4.9
|
32.5
|
1.0
|
CA
|
A:LYS196
|
4.9
|
53.5
|
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 Oct 6 04:07:32 2024
|