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Iron in PDB 1uzr: Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis

Enzymatic activity of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis:
1.17.4.1;

Protein crystallography data

The structure of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis, PDB code: 1uzr was solved by M.Uppsten, J.Davis, H.Rubin, U.Uhlin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 111.80 / 2.2
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 161.492, 161.492, 115.530, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 20.2

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis (pdb code 1uzr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis, PDB code: 1uzr:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 1uzr

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Iron binding site 1 out of 6 in the Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1292

b:37.2
occ:1.00
 OD1 A:ASP72 2.1 31.6 1.0
OE1 A:GLU103 2.1 35.7 1.0
ND1 A:HIS106 2.2 19.1 1.0
OE1 A:GLU197 2.2 48.6 1.0
OE2 A:GLU197 2.6 33.2 1.0
CD A:GLU197 2.8 44.2 1.0
O A:HOH2060 2.8 47.6 1.0
CG A:ASP72 3.1 30.8 1.0
CE1 A:HIS106 3.1 23.2 1.0
CD A:GLU103 3.2 27.1 1.0
CG A:HIS106 3.3 21.4 1.0
OD2 A:ASP72 3.4 40.7 1.0
FE A:FE1293 3.6 29.6 1.0
CB A:HIS106 3.6 22.0 1.0
OE2 A:GLU103 3.6 30.6 1.0
CZ A:PHE167 3.8 46.1 1.0
CE1 A:PHE167 4.0 46.2 1.0
NE2 A:HIS106 4.2 23.2 1.0
CG2 A:ILE193 4.2 24.8 1.0
CE2 A:PHE167 4.3 42.8 1.0
CG A:GLU197 4.3 35.4 1.0
CD2 A:HIS106 4.3 22.7 1.0
CB A:ASP72 4.4 25.1 1.0
O A:HOH2043 4.4 35.4 1.0
CA A:GLU103 4.4 20.4 1.0
CG A:GLU103 4.5 24.4 1.0
CB A:GLU103 4.7 21.1 1.0
CD1 A:PHE167 4.7 46.9 1.0
OE1 A:GLU163 4.8 42.0 1.0
CD2 A:PHE167 4.9 40.2 1.0
ND1 A:HIS200 4.9 20.6 1.0
CA A:ASP72 4.9 24.1 1.0
CE1 A:HIS200 4.9 21.1 1.0

Iron binding site 2 out of 6 in 1uzr

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Iron binding site 2 out of 6 in the Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1293

b:29.6
occ:1.00
 OE2 A:GLU197 1.8 33.2 1.0
OE2 A:GLU103 1.9 30.6 1.0
OE1 A:GLU163 2.0 42.0 1.0
ND1 A:HIS200 2.2 20.6 1.0
O A:HOH2060 2.3 47.6 1.0
OE2 A:GLU163 2.6 38.1 1.0
CD A:GLU163 2.6 34.9 1.0
CD A:GLU197 2.9 44.2 1.0
CD A:GLU103 2.9 27.1 1.0
CE1 A:HIS200 3.0 21.1 1.0
OE1 A:GLU103 3.1 35.7 1.0
CG A:HIS200 3.2 20.8 1.0
CB A:HIS200 3.6 19.4 1.0
FE A:FE1292 3.6 37.2 1.0
CG A:GLU197 3.6 35.4 1.0
OE1 A:GLU197 3.8 48.6 1.0
CG A:GLU163 4.1 30.0 1.0
NE2 A:HIS200 4.2 21.1 1.0
CG A:GLU103 4.3 24.4 1.0
CD2 A:HIS200 4.3 22.5 1.0
CA A:GLU197 4.4 26.2 1.0
CG A:GLN75 4.5 27.8 1.0
CB A:GLU197 4.6 27.4 1.0
CB A:GLU163 4.7 26.6 1.0
CG2 A:ILE99 4.8 22.3 1.0
CE1 A:PHE167 4.8 46.2 1.0
CE1 A:HIS106 4.8 23.2 1.0
OD1 A:ASP72 4.9 31.6 1.0
ND1 A:HIS106 4.9 19.1 1.0
N A:GLU197 5.0 23.5 1.0

Iron binding site 3 out of 6 in 1uzr

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Iron binding site 3 out of 6 in the Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1297

b:37.7
occ:1.00
 OD1 B:ASP72 2.0 31.5 1.0
OE1 B:GLU103 2.2 34.2 1.0
ND1 B:HIS106 2.3 16.3 1.0
OE1 B:GLU197 2.4 42.7 1.0
OE2 B:GLU197 2.5 32.5 1.0
CD B:GLU197 2.8 41.5 1.0
O B:HOH2050 3.1 38.9 1.0
CG B:ASP72 3.2 30.9 1.0
CE1 B:HIS106 3.2 21.3 1.0
CG B:HIS106 3.3 18.2 1.0
CD B:GLU103 3.3 27.2 1.0
CB B:HIS106 3.6 18.5 1.0
FE B:FE1298 3.6 27.9 1.0
OD2 B:ASP72 3.7 37.6 1.0
OE2 B:GLU103 3.8 33.1 1.0
CZ B:PHE167 4.0 48.9 1.0
CG2 B:ILE193 4.2 25.1 1.0
CE1 B:PHE167 4.2 49.8 1.0
CG B:GLU197 4.4 35.4 1.0
CA B:GLU103 4.4 18.9 1.0
NE2 B:HIS106 4.4 20.2 1.0
CE2 B:PHE167 4.4 44.7 1.0
CB B:ASP72 4.4 22.4 1.0
CD2 B:HIS106 4.4 22.1 1.0
O B:HOH2037 4.5 32.7 1.0
CG B:GLU103 4.6 24.1 1.0
CB B:GLU103 4.7 19.4 1.0
OE1 B:GLU163 4.8 43.8 1.0
CD1 B:PHE167 4.9 47.6 1.0
O B:GLU103 4.9 18.0 1.0
CA B:ASP72 5.0 22.5 1.0
CD2 B:PHE167 5.0 42.0 1.0
ND1 B:HIS200 5.0 20.0 1.0

Iron binding site 4 out of 6 in 1uzr

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Iron binding site 4 out of 6 in the Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1298

b:27.9
occ:1.00
 OE1 B:GLU163 1.9 43.8 1.0
OE2 B:GLU197 2.0 32.5 1.0
OE2 B:GLU103 2.0 33.1 1.0
ND1 B:HIS200 2.2 20.0 1.0
O B:HOH2050 2.4 38.9 1.0
OE2 B:GLU163 2.5 34.8 1.0
CD B:GLU163 2.5 35.4 1.0
CD B:GLU103 2.9 27.2 1.0
CD B:GLU197 3.0 41.5 1.0
OE1 B:GLU103 3.1 34.2 1.0
CE1 B:HIS200 3.2 19.7 1.0
CG B:HIS200 3.3 22.8 1.0
CB B:HIS200 3.6 20.0 1.0
FE B:FE1297 3.6 37.7 1.0
CG B:GLU197 3.7 35.4 1.0
OE1 B:GLU197 3.9 42.7 1.0
CG B:GLU163 4.0 32.8 1.0
NE2 B:HIS200 4.3 21.1 1.0
CG B:GLU103 4.4 24.1 1.0
CD2 B:HIS200 4.4 19.7 1.0
CA B:GLU197 4.4 27.4 1.0
CG B:GLN75 4.5 22.6 1.0
CB B:GLU197 4.6 29.1 1.0
CB B:GLU163 4.7 28.8 1.0
CG2 B:ILE99 4.8 19.7 1.0
NE2 B:GLN75 4.8 31.5 1.0
N B:GLU197 4.9 24.6 1.0
OD1 B:ASP72 5.0 31.5 1.0
ND1 B:HIS106 5.0 16.3 1.0

Iron binding site 5 out of 6 in 1uzr

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Iron binding site 5 out of 6 in the Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1292

b:41.5
occ:1.00
 OD1 C:ASP72 2.2 33.3 1.0
ND1 C:HIS106 2.2 22.9 1.0
OE1 C:GLU103 2.3 32.1 1.0
OE2 C:GLU197 2.3 50.1 1.0
OE1 C:GLU197 2.4 42.1 1.0
CD C:GLU197 2.7 46.5 1.0
CG C:ASP72 3.1 31.9 1.0
CE1 C:HIS106 3.1 22.2 1.0
O C:HOH2077 3.1 46.0 1.0
CG C:HIS106 3.3 22.3 1.0
OD2 C:ASP72 3.3 40.9 1.0
CD C:GLU103 3.4 24.8 1.0
CB C:HIS106 3.6 19.9 1.0
FE C:FE1293 3.6 30.1 1.0
OE2 C:GLU103 3.9 32.0 1.0
CZ C:PHE167 3.9 47.1 1.0
CE2 C:PHE167 4.1 45.1 1.0
NE2 C:HIS106 4.2 23.3 1.0
CG C:GLU197 4.3 38.9 1.0
CA C:GLU103 4.3 21.3 1.0
CD2 C:HIS106 4.3 22.4 1.0
CG2 C:ILE193 4.4 27.4 1.0
CB C:ASP72 4.4 23.7 1.0
CE1 C:PHE167 4.4 47.1 1.0
O C:HOH2043 4.6 43.6 1.0
CG C:GLU103 4.6 23.1 1.0
CB C:GLU103 4.6 21.9 1.0
CD2 C:PHE167 4.8 46.6 1.0
O C:GLU103 4.9 22.4 1.0
CA C:ASP72 5.0 23.5 1.0
OE1 C:GLU163 5.0 42.5 1.0

Iron binding site 6 out of 6 in 1uzr

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Iron binding site 6 out of 6 in the Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1293

b:30.1
occ:1.00
 OE1 C:GLU197 2.0 42.1 1.0
OE1 C:GLU163 2.1 42.5 1.0
OE2 C:GLU103 2.2 32.0 1.0
ND1 C:HIS200 2.3 22.4 1.0
OE2 C:GLU163 2.3 31.9 1.0
CD C:GLU163 2.5 35.6 1.0
O C:HOH2077 2.6 46.0 1.0
CD C:GLU197 3.0 46.5 1.0
CD C:GLU103 3.0 24.8 1.0
OE1 C:GLU103 3.2 32.1 1.0
CE1 C:HIS200 3.2 24.9 1.0
CG C:HIS200 3.3 23.5 1.0
CG C:GLU197 3.6 38.9 1.0
CB C:HIS200 3.6 23.2 1.0
FE C:FE1292 3.6 41.5 1.0
OE2 C:GLU197 4.0 50.1 1.0
CG C:GLU163 4.0 32.4 1.0
CA C:GLU197 4.3 30.1 1.0
NE2 C:HIS200 4.4 25.9 1.0
CD2 C:HIS200 4.4 24.3 1.0
CG C:GLU103 4.5 23.1 1.0
CB C:GLU197 4.5 31.9 1.0
CG C:GLN75 4.6 28.3 1.0
CB C:GLU163 4.7 31.1 1.0
CE1 C:HIS106 4.8 22.2 1.0
CG2 C:ILE99 4.9 22.8 1.0
ND1 C:HIS106 4.9 22.9 1.0
OD1 C:ASP72 5.0 33.3 1.0
N C:GLU197 5.0 28.9 1.0

Reference:

M.Uppsten, J.Davis, H.Rubin, U.Uhlin. Crystal Structure of the Biologically Active Form of Class Ib Ribonucleotide Reductase Small Subunit From Mycobacterium Tuberculosis Febs Lett. V. 569 117 2004.
ISSN: ISSN 0014-5793
PubMed: 15225619
DOI: 10.1016/J.FEBSLET.2004.05.059
Page generated: Sat Aug 3 16:07:00 2024

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