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Manganese in PDB 1mrr: Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization

Enzymatic activity of Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization

All present enzymatic activity of Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization:
1.17.4.1;

Protein crystallography data

The structure of Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization, PDB code: 1mrr was solved by H.Eklund, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.300, 85.500, 115.700, 90.00, 90.00, 90.00
R / Rfree (%) 18 / n/a

Other elements in 1mrr:

The structure of Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization also contains other interesting chemical elements:

Mercury (Hg) 13 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization (pdb code 1mrr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization, PDB code: 1mrr:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 1mrr

Go back to Manganese Binding Sites List in 1mrr
Manganese binding site 1 out of 4 in the Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:20.0
occ:1.00
 OE2 A:GLU238 2.1 27.7 1.0
OD1 A:ASP84 2.2 15.8 1.0
OE1 A:GLU115 2.2 21.3 1.0
ND1 A:HIS118 2.3 5.7 1.0
O A:HOH521 2.8 23.5 1.0
CG A:ASP84 2.9 17.7 1.0
OD2 A:ASP84 2.9 19.2 1.0
CE1 A:HIS118 3.2 5.3 1.0
CD A:GLU238 3.3 26.1 1.0
CG A:HIS118 3.3 6.7 1.0
CD A:GLU115 3.3 21.3 1.0
MN A:MN402 3.7 19.4 1.0
CB A:HIS118 3.8 9.4 1.0
OE1 A:GLU238 3.9 23.6 1.0
OE2 A:GLU115 3.9 20.7 1.0
CZ A:PHE208 4.2 23.7 1.0
CE2 A:PHE208 4.2 22.9 1.0
NE2 A:HIS118 4.3 4.3 1.0
CG A:GLU238 4.3 24.7 1.0
CB A:ASP84 4.4 12.6 1.0
CD2 A:HIS118 4.4 5.6 1.0
CG2 A:ILE234 4.5 13.8 1.0
CG A:GLU115 4.5 18.9 1.0
CA A:GLU115 4.5 13.0 1.0
CB A:GLU115 4.7 16.2 1.0
CE1 A:PHE208 4.7 21.7 1.0
CD2 A:PHE208 4.9 23.9 1.0
ND1 A:HIS241 4.9 13.0 1.0
CA A:ASP84 5.0 13.9 1.0

Manganese binding site 2 out of 4 in 1mrr

Go back to Manganese Binding Sites List in 1mrr
Manganese binding site 2 out of 4 in the Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:19.4
occ:1.00
 OE1 A:GLU238 1.9 23.6 1.0
OE2 A:GLU204 1.9 27.3 1.0
OE2 A:GLU115 2.2 20.7 1.0
ND1 A:HIS241 2.3 13.0 1.0
O A:HOH521 2.5 23.5 1.0
CD A:GLU238 2.7 26.1 1.0
OE2 A:GLU238 2.9 27.7 1.0
CD A:GLU115 2.9 21.3 1.0
CD A:GLU204 3.0 25.9 1.0
OE1 A:GLU115 3.0 21.3 1.0
CG A:HIS241 3.2 12.3 1.0
CE1 A:HIS241 3.3 14.3 1.0
CB A:HIS241 3.5 9.4 1.0
OE1 A:GLU204 3.6 31.2 1.0
MN A:MN401 3.7 20.0 1.0
NE1 A:TRP111 3.9 13.2 1.0
CG A:GLU204 4.0 24.0 1.0
CG A:GLU238 4.2 24.7 1.0
CG A:GLU115 4.4 18.9 1.0
CD1 A:TRP111 4.4 11.4 1.0
NE2 A:HIS241 4.4 12.7 1.0
CD2 A:HIS241 4.4 11.6 1.0
CA A:GLU238 4.6 20.4 1.0
CB A:GLU204 4.6 19.6 1.0
NE2 A:GLN87 4.7 15.7 1.0
CB A:GLU238 4.8 21.4 1.0
OD1 A:ASP84 4.9 15.8 1.0

Manganese binding site 3 out of 4 in 1mrr

Go back to Manganese Binding Sites List in 1mrr
Manganese binding site 3 out of 4 in the Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn403

b:23.5
occ:0.90
 OE1 B:GLU115 2.2 14.6 1.0
OE2 B:GLU238 2.2 25.7 1.0
ND1 B:HIS118 2.2 6.4 1.0
OD1 B:ASP84 2.3 19.1 1.0
OD2 B:ASP84 2.6 22.7 1.0
CG B:ASP84 2.8 19.5 1.0
O B:HOH640 2.9 16.3 1.0
CE1 B:HIS118 3.0 5.6 1.0
CG B:HIS118 3.4 7.5 1.0
CD B:GLU115 3.4 14.8 1.0
CD B:GLU238 3.4 25.4 1.0
MN B:MN404 3.6 24.4 1.0
CB B:HIS118 3.9 8.8 1.0
OE1 B:GLU238 4.0 30.0 1.0
OE2 B:GLU115 4.0 14.6 1.0
CZ B:PHE208 4.1 23.8 1.0
NE2 B:HIS118 4.2 4.9 1.0
CB B:ASP84 4.3 17.6 1.0
CE2 B:PHE208 4.3 23.8 1.0
CA B:GLU115 4.4 8.7 1.0
CD2 B:HIS118 4.4 5.0 1.0
CG B:GLU115 4.5 12.6 1.0
CG2 B:ILE234 4.5 8.8 1.0
CG B:GLU238 4.5 23.7 1.0
CB B:GLU115 4.6 9.2 1.0
CE1 B:PHE208 4.8 23.8 1.0
CE1 B:HIS241 4.9 12.6 1.0
ND1 B:HIS241 4.9 10.9 1.0
O B:GLU115 5.0 12.1 1.0

Manganese binding site 4 out of 4 in 1mrr

Go back to Manganese Binding Sites List in 1mrr
Manganese binding site 4 out of 4 in the Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn404

b:24.4
occ:1.00
 OE2 B:GLU204 1.8 23.8 1.0
OE1 B:GLU238 2.2 30.0 1.0
ND1 B:HIS241 2.3 10.9 1.0
O B:HOH640 2.4 16.3 1.0
OE2 B:GLU115 2.4 14.6 1.0
CD B:GLU238 2.8 25.4 1.0
OE2 B:GLU238 2.9 25.7 1.0
CD B:GLU204 2.9 26.6 1.0
OE1 B:GLU115 2.9 14.6 1.0
CD B:GLU115 3.0 14.8 1.0
CE1 B:HIS241 3.2 12.6 1.0
CG B:HIS241 3.3 10.9 1.0
MN B:MN403 3.6 23.5 0.9
OE1 B:GLU204 3.7 30.5 1.0
CB B:HIS241 3.7 12.0 1.0
CG B:GLU204 3.8 27.3 1.0
NE1 B:TRP111 4.0 4.4 1.0
CG B:GLU238 4.3 23.7 1.0
NE2 B:HIS241 4.3 12.2 1.0
CD2 B:HIS241 4.4 13.0 1.0
CG B:GLU115 4.5 12.6 1.0
CD1 B:TRP111 4.5 3.2 1.0
CB B:GLU204 4.7 22.4 1.0
CA B:GLU238 4.7 19.4 1.0
OD1 B:ASP84 4.7 19.1 1.0
CB B:GLU238 4.8 20.8 1.0
NE2 B:GLN87 4.9 17.3 1.0
CE1 B:HIS118 5.0 5.6 1.0

Reference:

M.Atta, P.Nordlund, A.Aberg, H.Eklund, M.Fontecave. Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization. J.Biol.Chem. V. 267 20682 1992.
ISSN: ISSN 0021-9258
PubMed: 1328209
Page generated: Sat Oct 5 11:44:43 2024

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