Manganese in PDB 6dpk: Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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 K196A 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 K196A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C, PDB code: 6dpk
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 /
1.39
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.492,
37.598,
61.734,
90.00,
96.79,
90.00
|
R / Rfree (%)
|
14.3 /
16.9
|
Other elements in 6dpk:
The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C
(pdb code 6dpk). 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 K196A in Complex with An Rna/Dna Hybrid: Reaction in 4 Mm MN2+ and 200 Mm K+ For 240 S at 21 C, PDB code: 6dpk:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 6dpk
Go back to
Manganese Binding Sites List in 6dpk
Manganese binding site 1 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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:24.7
occ:0.40
|
OE1
|
A:GLU166
|
2.1
|
27.3
|
1.0
|
O
|
A:HOH304
|
2.1
|
24.3
|
0.5
|
O
|
A:HOH412
|
2.2
|
31.1
|
1.0
|
O
|
A:HOH414
|
2.2
|
32.4
|
0.5
|
OD1
|
A:ASP163
|
2.6
|
26.9
|
1.0
|
O
|
A:HOH317
|
2.8
|
39.8
|
1.0
|
CD
|
A:GLU166
|
3.1
|
23.3
|
1.0
|
HH22
|
A:ARG151
|
3.2
|
41.0
|
1.0
|
HA
|
A:ASP163
|
3.3
|
22.6
|
1.0
|
OE2
|
A:GLU166
|
3.4
|
24.8
|
1.0
|
NZ
|
A:LYS144
|
3.5
|
77.7
|
1.0
|
CG
|
A:ASP163
|
3.6
|
30.5
|
1.0
|
HH21
|
A:ARG151
|
3.8
|
41.0
|
1.0
|
NH2
|
A:ARG151
|
3.8
|
34.1
|
1.0
|
O
|
A:HOH362
|
3.9
|
38.3
|
1.0
|
CA
|
A:ASP163
|
4.2
|
18.8
|
1.0
|
HB2
|
A:GLU166
|
4.2
|
22.8
|
1.0
|
CB
|
A:ASP163
|
4.3
|
20.3
|
1.0
|
HZ3
|
A:TRP159
|
4.3
|
28.7
|
1.0
|
HB3
|
A:ASP163
|
4.3
|
24.4
|
1.0
|
OD2
|
A:ASP163
|
4.4
|
30.1
|
1.0
|
CG
|
A:GLU166
|
4.4
|
18.6
|
1.0
|
HG12
|
A:VAL162
|
4.4
|
23.2
|
1.0
|
O
|
A:HOH367
|
4.7
|
43.7
|
1.0
|
CB
|
A:GLU166
|
4.7
|
19.0
|
1.0
|
CE
|
A:LYS144
|
4.8
|
83.3
|
1.0
|
HG3
|
A:GLU166
|
4.8
|
22.3
|
1.0
|
HB3
|
A:GLU166
|
4.8
|
22.8
|
1.0
|
CD
|
A:LYS144
|
4.9
|
63.0
|
1.0
|
N
|
A:ASP163
|
4.9
|
17.3
|
1.0
|
|
Manganese binding site 2 out
of 4 in 6dpk
Go back to
Manganese Binding Sites List in 6dpk
Manganese binding site 2 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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:Mn214
b:18.0
occ:1.00
|
OD2
|
A:ASP71
|
2.1
|
17.5
|
1.0
|
O
|
A:HOH348
|
2.1
|
20.0
|
1.0
|
O
|
b:HOH201
|
2.1
|
19.1
|
0.6
|
OD1
|
A:ASP192
|
2.1
|
22.3
|
1.0
|
OP3
|
b:C5
|
2.1
|
39.1
|
0.4
|
O
|
A:HOH316
|
2.2
|
19.2
|
1.0
|
OP1
|
b:C5
|
2.2
|
20.1
|
0.4
|
OP1
|
b:C5
|
2.3
|
17.9
|
0.4
|
OP1
|
b:C5
|
2.3
|
15.5
|
0.2
|
P
|
b:C5
|
2.8
|
15.6
|
0.4
|
CG
|
A:ASP71
|
3.1
|
15.6
|
1.0
|
HA
|
A:ASP192
|
3.1
|
22.4
|
1.0
|
CG
|
A:ASP192
|
3.2
|
20.5
|
1.0
|
P
|
b:C5
|
3.4
|
32.2
|
0.4
|
P
|
b:C5
|
3.5
|
15.1
|
0.2
|
OD1
|
A:ASP71
|
3.5
|
15.4
|
1.0
|
H
|
A:TYR193
|
3.5
|
25.0
|
1.0
|
HB2
|
A:ASP192
|
3.7
|
24.3
|
1.0
|
OP2
|
b:C5
|
3.8
|
15.9
|
0.4
|
CB
|
A:ASP192
|
3.8
|
20.2
|
1.0
|
MN
|
A:MN215
|
3.8
|
16.9
|
1.0
|
O
|
A:HOH387
|
3.9
|
24.4
|
1.0
|
OP2
|
b:C5
|
3.9
|
24.0
|
0.4
|
CA
|
A:ASP192
|
3.9
|
18.7
|
1.0
|
OP2
|
b:C5
|
3.9
|
17.8
|
0.2
|
MN
|
b:MN101
|
3.9
|
26.2
|
0.4
|
O5'
|
b:C5
|
3.9
|
15.3
|
0.4
|
OP2
|
b:G6
|
3.9
|
21.7
|
1.0
|
OD2
|
A:ASP132
|
4.1
|
24.5
|
1.0
|
O
|
A:VAL72
|
4.1
|
17.1
|
1.0
|
O5'
|
b:C5
|
4.1
|
16.1
|
0.2
|
HG22
|
A:ILE189
|
4.1
|
20.8
|
1.0
|
O5'
|
b:C5
|
4.1
|
20.8
|
0.4
|
OD2
|
A:ASP192
|
4.2
|
25.0
|
1.0
|
O
|
b:HOH205
|
4.2
|
28.1
|
0.4
|
OE2
|
A:GLU188
|
4.3
|
30.6
|
1.0
|
N
|
A:TYR193
|
4.3
|
20.8
|
1.0
|
C5'
|
b:C5
|
4.3
|
19.2
|
1.0
|
CB
|
A:ASP71
|
4.5
|
15.0
|
1.0
|
HB3
|
A:ASP71
|
4.5
|
18.1
|
1.0
|
OP3
|
b:C5
|
4.6
|
23.1
|
0.4
|
C
|
A:ASP192
|
4.7
|
20.1
|
1.0
|
O
|
A:HOH308
|
4.7
|
17.9
|
0.2
|
HD1
|
A:TYR193
|
4.7
|
21.8
|
1.0
|
HB3
|
A:ASP192
|
4.7
|
24.3
|
1.0
|
HG21
|
A:ILE189
|
4.7
|
20.8
|
1.0
|
O3'
|
B:U4
|
4.8
|
14.5
|
0.2
|
HB2
|
A:ASP71
|
4.8
|
18.1
|
1.0
|
CG2
|
A:ILE189
|
4.8
|
17.4
|
1.0
|
O
|
A:HOH312
|
4.8
|
47.5
|
1.0
|
HB2
|
A:TYR193
|
4.9
|
26.7
|
1.0
|
HG23
|
A:ILE189
|
4.9
|
20.8
|
1.0
|
N
|
A:ASP192
|
5.0
|
16.8
|
1.0
|
|
Manganese binding site 3 out
of 4 in 6dpk
Go back to
Manganese Binding Sites List in 6dpk
Manganese binding site 3 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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:Mn215
b:16.9
occ:1.00
|
OP1
|
b:C5
|
2.1
|
17.9
|
0.4
|
OE1
|
A:GLU109
|
2.1
|
16.5
|
1.0
|
OD1
|
A:ASP71
|
2.1
|
15.4
|
1.0
|
OD1
|
A:ASP132
|
2.1
|
17.4
|
1.0
|
OP1
|
b:C5
|
2.1
|
15.5
|
0.2
|
OP1
|
b:C5
|
2.1
|
20.1
|
0.4
|
OP3
|
b:C5
|
2.5
|
23.1
|
0.4
|
O3'
|
B:U4
|
2.6
|
14.5
|
0.2
|
CG
|
A:ASP132
|
2.8
|
17.9
|
1.0
|
OD2
|
A:ASP132
|
2.8
|
24.5
|
1.0
|
P
|
b:C5
|
2.8
|
32.2
|
0.4
|
P
|
b:C5
|
2.9
|
15.1
|
0.2
|
CD
|
A:GLU109
|
3.0
|
16.8
|
1.0
|
CG
|
A:ASP71
|
3.1
|
15.6
|
1.0
|
OE2
|
A:GLU109
|
3.3
|
16.7
|
1.0
|
C3'
|
B:U4
|
3.4
|
21.9
|
0.4
|
P
|
b:C5
|
3.4
|
15.6
|
0.4
|
O3'
|
B:U4
|
3.5
|
17.5
|
0.4
|
O
|
A:HOH335
|
3.5
|
17.5
|
1.0
|
HG12
|
A:VAL72
|
3.5
|
18.1
|
1.0
|
OD2
|
A:ASP71
|
3.6
|
17.5
|
1.0
|
H
|
A:VAL72
|
3.8
|
17.9
|
1.0
|
MN
|
A:MN214
|
3.8
|
18.0
|
1.0
|
O5'
|
b:C5
|
3.9
|
20.8
|
0.4
|
C3'
|
B:U4
|
3.9
|
18.3
|
0.2
|
C5'
|
b:C5
|
3.9
|
19.2
|
1.0
|
O5'
|
b:C5
|
3.9
|
16.1
|
0.2
|
OP2
|
b:C5
|
4.0
|
15.9
|
0.4
|
OP2
|
b:C5
|
4.0
|
17.8
|
0.2
|
O
|
A:HOH348
|
4.0
|
20.0
|
1.0
|
OP2
|
b:C5
|
4.0
|
24.0
|
0.4
|
O5'
|
b:C5
|
4.1
|
15.3
|
0.4
|
HA
|
A:ASP71
|
4.1
|
16.1
|
1.0
|
CB
|
A:ASP132
|
4.2
|
16.1
|
1.0
|
H
|
A:ASP132
|
4.2
|
17.8
|
1.0
|
C4'
|
B:U4
|
4.3
|
33.2
|
0.2
|
HB2
|
A:SER133
|
4.3
|
22.2
|
1.0
|
CB
|
A:ASP71
|
4.4
|
15.0
|
1.0
|
CG
|
A:GLU109
|
4.4
|
14.1
|
1.0
|
C4'
|
B:U4
|
4.4
|
18.1
|
0.4
|
OP3
|
b:C5
|
4.4
|
39.1
|
0.4
|
C5'
|
B:U4
|
4.4
|
18.4
|
0.2
|
C2'
|
B:U4
|
4.5
|
14.3
|
0.4
|
HG21
|
A:ILE189
|
4.5
|
20.8
|
1.0
|
CG1
|
A:VAL72
|
4.5
|
15.1
|
1.0
|
HG3
|
A:GLU109
|
4.5
|
16.9
|
1.0
|
N
|
A:VAL72
|
4.6
|
14.9
|
1.0
|
O2'
|
B:U4
|
4.6
|
14.1
|
0.2
|
C5'
|
B:U4
|
4.6
|
15.4
|
0.4
|
O
|
b:HOH201
|
4.6
|
19.1
|
0.6
|
HB2
|
A:ASP132
|
4.7
|
19.4
|
1.0
|
HB2
|
A:ASP71
|
4.7
|
18.1
|
1.0
|
CA
|
A:ASP71
|
4.7
|
13.4
|
1.0
|
O2'
|
B:U4
|
4.7
|
19.3
|
0.4
|
HG2
|
A:GLU109
|
4.7
|
16.9
|
1.0
|
HB3
|
A:ASP132
|
4.7
|
19.4
|
1.0
|
HG13
|
A:VAL72
|
4.8
|
18.1
|
1.0
|
C
|
A:ASP132
|
4.8
|
16.4
|
1.0
|
K
|
A:K216
|
4.8
|
18.7
|
0.4
|
C2'
|
B:U4
|
4.8
|
23.9
|
0.2
|
CA
|
A:ASP132
|
4.8
|
15.3
|
1.0
|
O
|
A:VAL72
|
4.8
|
17.1
|
1.0
|
HG11
|
A:VAL72
|
4.9
|
18.1
|
1.0
|
N
|
A:ASP132
|
4.9
|
14.8
|
1.0
|
O
|
A:HOH316
|
4.9
|
19.2
|
1.0
|
HG22
|
A:ILE189
|
4.9
|
20.8
|
1.0
|
N
|
A:SER133
|
5.0
|
16.5
|
1.0
|
|
Manganese binding site 4 out
of 4 in 6dpk
Go back to
Manganese Binding Sites List in 6dpk
Manganese binding site 4 out
of 4 in the Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A 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 K196A 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:26.2
occ:0.40
|
O
|
b:HOH201
|
2.1
|
19.1
|
0.6
|
O
|
b:HOH207
|
2.2
|
26.1
|
0.4
|
O
|
A:HOH387
|
2.2
|
24.4
|
1.0
|
O
|
A:HOH301
|
2.2
|
28.0
|
0.4
|
OP3
|
b:C5
|
2.3
|
39.1
|
0.4
|
O
|
b:HOH205
|
2.3
|
28.1
|
0.4
|
OP2
|
b:G6
|
2.4
|
21.7
|
1.0
|
P
|
b:C5
|
3.4
|
15.6
|
0.4
|
O
|
A:HOH312
|
3.5
|
47.5
|
1.0
|
O
|
A:ARG195
|
3.5
|
54.4
|
0.5
|
O5'
|
b:G6
|
3.6
|
20.4
|
1.0
|
P
|
b:G6
|
3.6
|
19.3
|
1.0
|
O5'
|
b:C5
|
3.7
|
15.3
|
0.4
|
O
|
A:HOH316
|
3.9
|
19.2
|
1.0
|
MN
|
A:MN214
|
3.9
|
18.0
|
1.0
|
OP2
|
b:C5
|
3.9
|
15.9
|
0.4
|
OD1
|
A:ASP192
|
3.9
|
22.3
|
1.0
|
O5'
|
b:C5
|
4.0
|
16.1
|
0.2
|
OP2
|
b:C5
|
4.0
|
24.0
|
0.4
|
OP2
|
b:C5
|
4.0
|
17.8
|
0.2
|
O5'
|
b:C5
|
4.1
|
20.8
|
0.4
|
C
|
A:ARG195
|
4.1
|
51.3
|
0.5
|
P
|
b:C5
|
4.4
|
15.1
|
0.2
|
P
|
b:C5
|
4.4
|
32.2
|
0.4
|
OP1
|
b:C5
|
4.5
|
20.1
|
0.4
|
OP1
|
b:C5
|
4.5
|
15.5
|
0.2
|
C3'
|
b:C5
|
4.5
|
17.1
|
1.0
|
OP1
|
b:C5
|
4.5
|
17.9
|
0.4
|
O
|
b:HOH202
|
4.6
|
43.0
|
1.0
|
O3'
|
b:C5
|
4.6
|
17.8
|
1.0
|
C5'
|
b:C5
|
4.6
|
19.2
|
1.0
|
OP1
|
b:G6
|
4.7
|
19.4
|
1.0
|
C5'
|
b:G6
|
4.9
|
22.5
|
1.0
|
N
|
A:ARG195
|
4.9
|
75.0
|
0.5
|
CG
|
A:ASP192
|
4.9
|
20.5
|
1.0
|
O
|
b:HOH204
|
5.0
|
35.9
|
1.0
|
O
|
A:HOH348
|
5.0
|
20.0
|
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 04:10:02 2024
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