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Mercury 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:

Manganese (Mn) 4 atoms

Mercury Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Mercury 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 Mercury atom.
In total 13 binding sites of Mercury where determined in the Substitution of Manganese For Iron in Ribonucleotide Reductase From Escherichia Coli. Spectroscopic and Crystallographic Characterization, PDB code: 1mrr:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 13 in 1mrr

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Mercury binding site 1 out of 13 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 Mercury with other atoms in the Hg 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:Hg405

b:29.2
occ:1.00
SG A:CYS196 2.4 20.6 1.0
O A:HOH520 2.7 26.3 1.0
HG A:HG412 3.1 31.7 0.3
O A:CYS196 3.2 9.2 1.0
CA A:CYS196 3.4 14.7 1.0
CB A:CYS196 3.4 16.9 1.0
C A:CYS196 3.5 14.6 1.0
CB A:TYR156 3.6 31.9 1.0
CD1 A:TYR157 3.7 4.9 1.0
CE1 A:TYR157 3.7 4.7 1.0
CZ A:TYR157 3.8 6.9 1.0
CG A:TYR157 3.8 5.7 1.0
CD2 A:TYR157 3.9 4.4 1.0
CE2 A:TYR157 3.9 4.9 1.0
N A:TYR157 4.0 17.9 1.0
CG2 A:VAL200 4.0 9.8 1.0
CB A:SER199 4.3 17.9 1.0
C A:TYR156 4.3 20.4 1.0
CG A:TYR156 4.4 38.5 1.0
CA A:TYR157 4.4 13.8 1.0
OH A:TYR157 4.5 12.4 1.0
OG A:SER199 4.6 22.2 1.0
CA A:TYR156 4.6 24.1 1.0
CB A:TYR157 4.7 9.3 1.0
O A:ILE153 4.7 26.6 1.0
N A:LEU197 4.7 14.0 1.0
N A:VAL200 4.7 14.6 1.0
N A:CYS196 4.8 17.0 1.0

Mercury binding site 2 out of 13 in 1mrr

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Mercury binding site 2 out of 13 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 Mercury with other atoms in the Hg 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:Hg407

b:29.6
occ:1.00
O A:HOH524 2.3 21.5 1.0
SG A:CYS272 2.8 46.3 1.0
OH A:TYR194 3.0 11.8 1.0
CB A:CYS272 3.0 33.4 1.0
CE A:MET198 3.6 16.4 1.0
O A:ALA265 3.7 31.8 1.0
CE2 A:TYR194 3.8 8.2 1.0
CZ A:TYR194 3.8 8.6 1.0
CA A:LYS269 3.9 20.7 1.0
CD2 A:LEU321 4.2 9.1 1.0
SG A:CYS268 4.2 47.9 1.0
N A:LYS269 4.3 19.1 1.0
CG A:LYS269 4.5 29.4 1.0
C A:ALA265 4.5 29.9 1.0
O A:HOH509 4.5 24.6 1.0
O A:LYS269 4.6 25.4 1.0
CA A:ALA265 4.6 27.5 1.0
CB A:LYS269 4.6 24.3 1.0
CA A:CYS272 4.6 27.6 1.0
C A:CYS268 4.7 21.4 1.0
C A:LYS269 4.7 22.0 1.0
CB A:ALA265 4.8 25.4 1.0
O A:HOH548 4.9 20.4 1.0
O A:CYS268 4.9 16.8 1.0
CG A:LEU321 5.0 10.8 1.0

Mercury binding site 3 out of 13 in 1mrr

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Mercury binding site 3 out of 13 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 Mercury with other atoms in the Hg 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
A:Hg409

b:39.2
occ:1.00
SG A:CYS214 2.1 22.4 1.0
O A:HOH516 2.5 28.6 1.0
N A:CYS214 3.1 17.6 1.0
O A:VAL210 3.2 20.9 1.0
CB A:CYS214 3.3 19.1 1.0
CA A:CYS214 3.4 18.3 1.0
CD1 A:LEU304 3.6 24.4 1.0
C A:ALA213 3.8 18.9 1.0
CB A:ALA213 3.9 18.7 1.0
CD1 A:LEU299 4.0 29.2 1.0
C A:VAL210 4.0 20.9 1.0
CG1 A:VAL210 4.1 22.6 1.0
O A:HOH530 4.2 24.5 1.0
CG A:LEU304 4.2 27.1 1.0
CA A:ALA213 4.4 19.8 1.0
O A:ALA213 4.5 17.7 1.0
CA A:VAL210 4.6 19.8 1.0
CD2 A:LEU299 4.8 31.4 1.0
CG A:LEU299 4.9 31.2 1.0
N A:ALA213 4.9 21.1 1.0
CB A:LEU304 4.9 26.4 1.0
C A:CYS214 5.0 19.8 1.0
N A:SER211 5.0 22.9 1.0

Mercury binding site 4 out of 13 in 1mrr

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Mercury binding site 4 out of 13 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 Mercury with other atoms in the Hg 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
A:Hg412

b:31.7
occ:0.30
SG A:CYS196 2.0 20.6 1.0
HG A:HG405 3.1 29.2 1.0
CE1 A:TYR157 3.2 4.7 1.0
CG2 A:VAL200 3.2 9.8 1.0
CB A:CYS196 3.2 16.9 1.0
C A:CYS196 3.4 14.6 1.0
O A:CYS196 3.6 9.2 1.0
CD2 A:LEU95 3.8 10.0 1.0
N A:LEU197 3.8 14.0 1.0
CD1 A:TYR157 3.8 4.9 1.0
CZ A:TYR157 3.8 6.9 1.0
CA A:CYS196 3.9 14.7 1.0
OH A:TYR157 4.0 12.4 1.0
CA A:LEU197 4.3 16.2 1.0
CD1 A:LEU197 4.3 19.6 1.0
CG A:LEU95 4.4 12.1 1.0
CD1 A:LEU95 4.5 10.9 1.0
CD2 A:LEU160 4.6 15.5 1.0
CB A:VAL200 4.6 8.2 1.0
CG A:TYR157 4.8 5.7 1.0
CE2 A:TYR157 4.9 4.9 1.0

Mercury binding site 5 out of 13 in 1mrr

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Mercury binding site 5 out of 13 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 Mercury with other atoms in the Hg binding site number 5 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:Hg415

b:43.4
occ:0.15
CB A:CYS305 2.5 28.3 1.0
NZ A:LYS284 2.6 22.8 1.0
O A:HOH554 2.7 8.1 1.0
CE A:LYS284 3.0 24.8 1.0
SG A:CYS305 3.1 34.3 1.0
CA A:CYS305 3.3 27.1 1.0
OE2 A:GLU309 3.4 19.3 1.0
C A:CYS305 3.5 26.5 1.0
O A:CYS305 3.6 28.8 1.0
CD A:LYS284 3.8 25.4 1.0
CD A:GLU309 4.1 20.3 1.0
CG A:LYS284 4.2 26.5 1.0
N A:GLN306 4.3 24.9 1.0
CG A:GLU309 4.5 20.1 1.0
N A:CYS305 4.7 27.5 1.0
OE1 A:GLU309 4.9 21.7 1.0

Mercury binding site 6 out of 13 in 1mrr

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Mercury binding site 6 out of 13 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 Mercury with other atoms in the Hg binding site number 6 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:Hg406

b:38.2
occ:0.90
O B:HOH537 2.3 16.1 1.0
SG B:CYS196 2.6 21.3 1.0
HG B:HG413 3.2 16.1 0.3
O B:CYS196 3.2 13.8 1.0
CB B:CYS196 3.3 16.7 1.0
CB B:TYR156 3.3 26.9 1.0
CA B:CYS196 3.3 16.0 1.0
C B:CYS196 3.6 17.1 1.0
CG2 B:VAL200 3.7 18.2 1.0
CD1 B:TYR157 3.8 13.4 1.0
CG B:TYR157 3.8 12.3 1.0
N B:TYR157 3.8 16.1 1.0
CE1 B:TYR157 3.9 13.7 1.0
CD2 B:TYR157 4.0 12.5 1.0
CZ B:TYR157 4.1 12.8 1.0
CE2 B:TYR157 4.1 12.6 1.0
C B:TYR156 4.2 21.9 1.0
CB B:SER199 4.3 19.4 1.0
CG B:TYR156 4.3 28.2 1.0
CA B:TYR157 4.4 12.3 1.0
CA B:TYR156 4.4 23.7 1.0
CB B:TYR157 4.6 12.2 1.0
N B:VAL200 4.6 14.9 1.0
O B:ILE153 4.6 27.6 1.0
OG B:SER199 4.7 21.3 1.0
N B:CYS196 4.7 16.1 1.0
N B:LEU197 4.7 18.2 1.0
O B:TYR156 4.9 22.4 1.0
CD2 B:TYR156 4.9 29.7 1.0
OH B:TYR157 4.9 9.3 1.0
CB B:VAL200 5.0 16.4 1.0

Mercury binding site 7 out of 13 in 1mrr

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Mercury binding site 7 out of 13 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 Mercury with other atoms in the Hg binding site number 7 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:Hg408

b:41.6
occ:0.30
CD2 B:LEU304 2.3 31.4 1.0
SG B:CYS214 2.8 29.4 1.0
HG B:HG411 3.0 18.7 0.3
O B:VAL210 3.1 26.9 1.0
CG B:LEU304 3.3 31.9 1.0
N B:CYS214 3.6 18.9 1.0
CB B:ALA213 3.8 21.1 1.0
CD2 B:LEU299 3.8 40.7 1.0
CB B:CYS214 3.9 23.4 1.0
CG1 B:VAL210 4.1 30.7 1.0
CA B:CYS214 4.1 19.0 1.0
C B:VAL210 4.1 24.5 1.0
C B:ALA213 4.2 19.5 1.0
CB B:LEU304 4.3 31.6 1.0
CD1 B:LEU304 4.4 33.2 1.0
CA B:ALA213 4.5 19.1 1.0
CG B:LEU299 4.6 39.9 1.0
CD1 B:LEU299 4.7 40.7 1.0
CA B:VAL210 4.7 26.2 1.0
O B:ALA213 5.0 17.8 1.0
CA B:LEU304 5.0 31.1 1.0

Mercury binding site 8 out of 13 in 1mrr

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Mercury binding site 8 out of 13 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 Mercury with other atoms in the Hg binding site number 8 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:Hg410

b:20.8
occ:0.30
OH B:TYR194 3.3 28.5 1.0
O B:ALA265 3.5 38.1 1.0
CE2 B:TYR194 3.6 28.4 1.0
CB B:CYS272 3.8 38.2 1.0
HG B:HG414 3.8 40.8 0.3
SG B:CYS272 3.8 53.1 1.0
CE B:MET198 3.9 27.0 1.0
CZ B:TYR194 3.9 28.6 1.0
CA B:LYS269 4.2 38.8 1.0
C B:ALA265 4.2 34.4 1.0
CA B:ALA265 4.3 31.4 1.0
CB B:ALA265 4.4 28.8 1.0
CG B:LYS269 4.4 42.4 1.0
CD2 B:LEU321 4.4 26.7 1.0
N B:LYS269 4.5 37.3 1.0
C B:CYS268 4.6 38.6 1.0
O B:CYS268 4.7 41.5 1.0
CD2 B:TYR194 4.8 27.2 1.0
CB B:LYS269 4.8 39.9 1.0

Mercury binding site 9 out of 13 in 1mrr

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Mercury binding site 9 out of 13 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 Mercury with other atoms in the Hg binding site number 9 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:Hg411

b:18.7
occ:0.30
SG B:CYS214 1.9 29.4 1.0
HG B:HG408 3.0 41.6 0.3
CB B:CYS214 3.0 23.4 1.0
OD1 B:ASN76 3.2 28.1 1.0
O B:VAL210 3.7 26.9 1.0
CD2 B:LEU290 3.7 55.5 1.0
CG B:ASN76 4.1 26.4 1.0
CA B:SER211 4.1 21.7 1.0
CA B:CYS214 4.2 19.0 1.0
C B:VAL210 4.2 24.5 1.0
CG1 B:VAL210 4.3 30.7 1.0
N B:CYS214 4.3 18.9 1.0
N B:SER211 4.5 22.9 1.0
NE1 B:TRP286 4.6 49.2 1.0
CD2 B:LEU304 4.6 31.4 1.0
CD1 B:TRP286 4.6 48.2 1.0
O B:HOH562 4.8 8.5 1.0
CB B:ASN76 4.8 23.4 1.0
ND2 B:ASN76 4.8 26.6 1.0
C B:SER211 4.8 21.3 1.0
O B:SER211 4.8 20.0 1.0

Mercury binding site 10 out of 13 in 1mrr

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Mercury binding site 10 out of 13 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 Mercury with other atoms in the Hg binding site number 10 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:Hg413

b:16.1
occ:0.30
SG B:CYS196 1.9 21.3 1.0
HG B:HG406 3.2 38.2 0.9
CE1 B:TYR157 3.2 13.7 1.0
CG2 B:VAL200 3.3 18.2 1.0
CB B:CYS196 3.5 16.7 1.0
C B:CYS196 3.6 17.1 1.0
CD1 B:TYR157 3.7 13.4 1.0
O B:CYS196 3.7 13.8 1.0
N B:LEU197 4.0 18.2 1.0
CZ B:TYR157 4.0 12.8 1.0
CA B:CYS196 4.1 16.0 1.0
CD2 B:LEU95 4.3 16.8 1.0
OH B:TYR157 4.4 9.3 1.0
CA B:LEU197 4.4 18.6 1.0
CD1 B:LEU197 4.4 17.9 1.0
CB B:VAL200 4.6 16.4 1.0
CD2 B:LEU160 4.7 10.3 1.0
CG B:TYR157 4.7 12.3 1.0
CG B:LEU95 4.9 16.4 1.0
CE2 B:TYR157 5.0 12.6 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: Sun Dec 13 19:04:05 2020

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