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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:

Potassium (K) 1 atom
Iodine (I) 5 atoms

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

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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

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