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Manganese in PDB 6dpc: Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 12 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 12 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 12 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 12 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpc 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) 20.01 / 1.34
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.821, 37.426, 61.946, 90.00, 96.83, 90.00
R / Rfree (%) 14.9 / 18

Other elements in 6dpc:

The structure of Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with An Rna/Dna Hybrid: Reaction in 12 Mm MN2+ and 200 Mm K+ For 40 S at 21 C also contains other interesting chemical elements:

Potassium (K) 3 atoms
Iodine (I) 4 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 12 Mm MN2+ and 200 Mm K+ For 40 S at 21 C (pdb code 6dpc). 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 12 Mm MN2+ and 200 Mm K+ For 40 S at 21 C, PDB code: 6dpc:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in 6dpc

Go back to Manganese Binding Sites List in 6dpc
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 12 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 12 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:17.4
occ:1.00
OD2 A:ASP71 2.1 16.3 1.0
OD1 A:ASP192 2.1 18.8 1.0
O B:HOH201 2.1 17.3 0.3
OP3 b:C5 2.1 21.7 0.7
O A:HOH358 2.1 18.2 1.0
O A:HOH325 2.2 17.8 1.0
OP1 b:C5 2.3 15.2 0.3
OP1 b:C5 2.4 29.8 0.7
P b:C5 2.9 15.9 0.7
HA A:ASP192 3.1 21.6 1.0
CG A:ASP71 3.1 16.7 1.0
CG A:ASP192 3.2 18.9 1.0
OD1 A:ASP71 3.4 15.4 1.0
P b:C5 3.5 17.9 0.3
HB2 A:ASP192 3.5 23.6 1.0
H A:TYR193 3.6 23.0 1.0
CB A:ASP192 3.7 19.7 1.0
MN A:MN202 3.8 16.1 1.0
CA A:ASP192 3.8 18.0 1.0
OP2 b:C5 3.8 17.3 0.3
K A:K205 3.9 20.4 0.1
O5' b:C5 3.9 14.7 0.7
OP2 b:C5 3.9 18.7 0.7
OP2 b:G6 4.0 20.5 1.0
NZ A:LYS196 4.0 22.2 0.7
OD2 A:ASP132 4.0 22.7 1.0
HG22 A:ILE189 4.1 20.7 1.0
O A:HOH364 4.1 20.6 0.7
O A:VAL72 4.2 16.1 1.0
C5' b:C5 4.2 18.9 1.0
OE2 A:GLU188 4.3 30.4 1.0
O5' b:C5 4.3 17.2 0.3
OD2 A:ASP192 4.3 22.7 1.0
N A:TYR193 4.3 19.2 1.0
CB A:ASP71 4.5 13.8 1.0
HD1 A:TYR193 4.6 23.4 1.0
O A:HOH305 4.6 17.3 0.3
O3' B:U4 4.6 18.2 0.3
C A:ASP192 4.6 19.8 1.0
HB3 A:ASP192 4.7 23.6 1.0
HG21 A:ILE189 4.7 20.7 1.0
CG2 A:ILE189 4.7 17.3 1.0
K B:K102 4.9 26.6 0.4
N A:ASP192 4.9 16.8 1.0
HG23 A:ILE189 4.9 20.7 1.0
HB2 A:TYR193 4.9 27.2 1.0

Manganese binding site 2 out of 5 in 6dpc

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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 12 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 12 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:16.1
occ:1.00
OD1 A:ASP71 2.1 15.4 1.0
OD1 A:ASP132 2.1 17.7 1.0
OE1 A:GLU109 2.1 17.4 1.0
OP1 b:C5 2.3 15.2 0.3
OP1 b:C5 2.4 29.8 0.7
OD2 A:ASP132 2.5 22.7 1.0
CG A:ASP132 2.6 18.7 1.0
O3' B:U4 2.6 18.2 0.3
CD A:GLU109 3.0 15.5 1.0
P b:C5 3.0 17.9 0.3
CG A:ASP71 3.1 16.7 1.0
OE2 A:GLU109 3.2 16.2 1.0
O A:HOH346 3.2 16.3 1.0
OD2 A:ASP71 3.5 16.3 1.0
O3' B:U4 3.6 17.5 0.7
HG12 A:VAL72 3.6 19.7 1.0
C3' B:U4 3.6 15.9 0.7
P b:C5 3.6 15.9 0.7
MN A:MN201 3.8 17.4 1.0
H A:VAL72 3.8 17.9 1.0
C3' B:U4 3.9 29.7 0.3
O5' b:C5 4.0 17.2 0.3
O A:HOH358 4.0 18.2 1.0
C5' b:C5 4.1 18.9 1.0
CB A:ASP132 4.1 16.6 1.0
OP2 b:C5 4.1 18.7 0.7
H A:ASP132 4.1 17.5 1.0
OP2 b:C5 4.2 17.3 0.3
HB2 A:SER133 4.3 18.6 1.0
O5' b:C5 4.3 14.7 0.7
CB A:ASP71 4.4 13.8 1.0
CG A:GLU109 4.4 13.6 1.0
HG21 A:ILE189 4.4 20.7 1.0
C4' B:U4 4.4 25.6 0.3
O2' B:U4 4.4 20.7 0.3
OP3 b:C5 4.5 21.7 0.7
CG1 A:VAL72 4.5 16.4 1.0
HB2 A:ASP132 4.6 19.9 1.0
HG3 A:GLU109 4.6 16.3 1.0
HB3 A:ASP132 4.6 19.9 1.0
C4' B:U4 4.6 18.7 0.7
N A:VAL72 4.6 14.9 1.0
CA A:ASP71 4.7 14.7 1.0
O B:HOH201 4.7 17.3 0.3
C2' B:U4 4.7 16.8 0.7
HG2 A:GLU109 4.7 16.3 1.0
C5' B:U4 4.7 25.0 0.3
C2' B:U4 4.8 22.3 0.3
CA A:ASP132 4.8 15.7 1.0
C5' B:U4 4.8 16.2 0.7
N A:ASP132 4.8 14.6 1.0
HG13 A:VAL72 4.8 19.7 1.0
C A:ASP132 4.9 17.1 1.0
HG22 A:ILE189 4.9 20.7 1.0
O2' B:U4 4.9 17.7 0.7
HG11 A:VAL72 4.9 19.7 1.0
O A:VAL72 4.9 16.1 1.0
K B:K102 5.0 26.6 0.4
O A:HOH325 5.0 17.8 1.0

Manganese binding site 3 out of 5 in 6dpc

Go back to Manganese Binding Sites List in 6dpc
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 12 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 12 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:18.6
occ:0.40
O A:HOH422 2.1 36.9 1.0
OE1 A:GLU166 2.1 30.2 1.0
O A:HOH302 2.2 63.9 1.0
OD1 A:ASP163 2.5 25.1 1.0
O A:HOH331 2.6 37.7 1.0
CD A:GLU166 3.1 23.3 1.0
HA A:ASP163 3.4 21.7 1.0
OE2 A:GLU166 3.5 25.0 1.0
NZ A:LYS144 3.5 83.5 1.0
CG A:ASP163 3.6 25.3 1.0
NH2 A:ARG151 3.8 26.3 1.0
O A:HOH373 4.2 31.5 1.0
HZ3 A:TRP159 4.2 25.9 1.0
HB2 A:GLU166 4.3 21.7 1.0
CA A:ASP163 4.3 18.1 1.0
CB A:ASP163 4.3 20.2 1.0
OD2 A:ASP163 4.4 25.1 1.0
HB3 A:ASP163 4.4 24.2 1.0
CG A:GLU166 4.5 19.7 1.0
HG12 A:VAL162 4.5 24.7 1.0
CE A:LYS144 4.7 65.5 1.0
CB A:GLU166 4.8 18.1 1.0
HB3 A:GLU166 4.8 21.7 1.0
HG3 A:GLU166 4.8 23.7 1.0
CD A:LYS144 4.9 64.5 1.0
HE3 A:TRP159 5.0 24.8 1.0
CZ3 A:TRP159 5.0 21.6 1.0
N A:ASP163 5.0 16.9 1.0

Manganese binding site 4 out of 5 in 6dpc

Go back to Manganese Binding Sites List in 6dpc
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 12 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 12 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:34.8
occ:0.20
O A:LYS196 2.5 61.5 0.7
O A:HOH415 3.0 47.8 1.0
C A:LYS196 3.7 52.4 0.7
MN B:MN101 3.9 31.0 0.2
OXT A:LYS196 4.2 59.0 0.7
CA A:LYS196 4.9 44.4 0.7

Manganese binding site 5 out of 5 in 6dpc

Go back to Manganese Binding Sites List in 6dpc
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 12 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 12 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:31.0
occ:0.20
O B:HOH210 2.3 43.0 1.0
O6 b:G6 2.5 26.8 1.0
O B:HOH208 2.6 48.3 1.0
C6 b:G6 3.4 25.9 1.0
N7 b:G6 3.6 27.2 1.0
C5 b:G6 3.8 22.9 1.0
MN A:MN204 3.9 34.8 0.2
O A:LYS196 4.3 61.5 0.7
N4 C:DC1 4.4 28.0 1.0
O B:HOH213 4.6 31.7 1.0
N1 b:G6 4.7 23.3 1.0
N4 b:C5 4.8 24.8 1.0
C8 b:G6 4.8 25.3 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 04:04:56 2024

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