Iron in PDB 2p1i: Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)

The structure of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671), PDB code: 2p1i was solved by A.K.Wernimont, A.Dong, J.Choe, M.Gao, J.Walker, J.Lew, Z.Alam, Y.Zhao, P.Nordlund, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, M.Sundstrom, A.Bochkarev, R.Hui, J.D.Artz, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	192.040, 153.460, 143.360, 90.00, 132.00, 90.00
R / Rfree (%)	30.4 / 36.8

The binding sites of Iron atom in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) (pdb code 2p1i). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671), PDB code: 2p1i:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe350 b:47.3 occ:0.70 ND1 A:HIS229 1.9 44.6 1.0 OE1 A:GLU226 2.0 47.2 1.0 OE2 A:GLU192 2.1 45.9 1.0 OE2 A:GLU226 2.4 51.2 1.0 CE1 A:HIS229 2.5 43.5 1.0 CD A:GLU226 2.5 49.4 1.0 CD A:GLU192 2.8 47.8 1.0 OE1 A:GLU192 2.9 48.3 1.0 CG A:HIS229 3.1 44.8 1.0 OE2 A:GLU130 3.2 39.8 1.0 CD A:GLU130 3.3 36.9 1.0 OE1 A:GLU130 3.3 37.0 1.0 NE2 A:HIS229 3.7 47.8 1.0 CB A:HIS229 3.8 41.4 1.0 CG A:GLU226 4.0 45.7 1.0 CD2 A:HIS229 4.1 45.6 1.0 CG A:GLU130 4.2 39.7 1.0 CG A:GLU192 4.3 43.3 1.0 CA A:GLU226 4.4 40.9 1.0 NE2 A:GLN126 4.5 50.9 1.0 CG A:GLN126 4.7 41.4 1.0 CB A:GLU226 4.7 41.4 1.0 CE1 A:HIS133 4.9 39.4 1.0 CB A:GLU192 4.9 43.6 1.0 CD A:GLN126 4.9 45.7 1.0

Iron binding site 2 out of 8 in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe350 b:65.5 occ:0.70 ND1 B:HIS229 1.9 51.2 1.0 OE1 B:GLU226 2.0 52.8 1.0 OE2 B:GLU192 2.0 53.3 1.0 CD B:GLU192 2.8 49.3 1.0 OE2 B:GLU130 2.9 40.0 1.0 CG B:HIS229 2.9 44.0 1.0 CE1 B:HIS229 2.9 47.2 1.0 OE1 B:GLU130 3.0 46.0 1.0 CD B:GLU226 3.0 49.4 1.0 CB B:HIS229 3.2 41.0 1.0 CD B:GLU130 3.3 43.4 1.0 CG B:GLU192 3.4 46.2 1.0 OE2 B:GLU226 3.5 51.0 1.0 NE2 B:GLN126 3.5 34.5 1.0 CD B:GLN126 3.5 39.1 1.0 CG B:GLN126 3.7 41.3 1.0 OE1 B:GLU192 3.7 52.4 1.0 NE2 B:HIS229 4.0 47.3 1.0 CD2 B:HIS229 4.0 46.1 1.0 OE1 B:GLN126 4.0 39.6 1.0 CG B:GLU226 4.3 46.1 1.0 CB B:GLU192 4.5 44.9 1.0 CA B:HIS229 4.7 41.1 1.0 CA B:GLU226 4.8 40.8 1.0 CG B:GLU130 4.9 40.1 1.0 CB B:GLU226 4.9 41.4 1.0

Iron binding site 3 out of 8 in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe350 b:61.1 occ:0.70 OE1 C:GLU226 2.0 49.0 1.0 OE2 C:GLU192 2.1 52.1 1.0 OE1 C:GLU130 2.1 51.0 1.0 OE2 C:GLU226 2.1 44.8 1.0 CD C:GLU226 2.3 45.0 1.0 CD C:GLU130 3.1 44.5 1.0 CD C:GLU192 3.1 46.6 1.0 ND1 C:HIS229 3.1 38.1 1.0 CG C:GLU130 3.5 41.0 1.0 CG C:GLU226 3.7 42.7 1.0 NE2 C:GLN126 3.7 47.9 1.0 OE1 C:GLU192 3.9 49.5 1.0 CG C:HIS229 3.9 39.6 1.0 CE1 C:HIS229 4.0 35.5 1.0 CG C:GLU192 4.1 45.5 1.0 CB C:HIS229 4.2 40.6 1.0 CD C:GLN126 4.2 43.1 1.0 OE2 C:GLU130 4.2 41.4 1.0 CG C:GLN126 4.7 42.6 1.0 CB C:GLU226 4.7 40.3 1.0 CB C:GLU192 4.7 43.3 1.0 OE1 C:GLN126 4.8 46.0 1.0 CB C:GLU130 5.0 39.0 1.0 CA C:GLU226 5.0 40.7 1.0 NE2 C:HIS229 5.0 35.7 1.0

Iron binding site 4 out of 8 in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe350 b:49.3 occ:0.70 OE1 D:GLU226 2.0 46.1 1.0 OE1 D:GLU130 2.1 51.8 1.0 ND1 D:HIS229 2.5 47.8 1.0 OE2 D:GLU192 2.6 59.6 1.0 CD D:GLU226 2.7 47.0 1.0 OE2 D:GLU226 2.8 53.2 1.0 CD D:GLU130 3.1 48.5 1.0 CE1 D:HIS229 3.3 46.1 1.0 CG D:HIS229 3.5 44.0 1.0 CD D:GLU192 3.6 54.6 1.0 CG D:GLU130 3.8 43.8 1.0 CG D:GLU192 3.8 47.6 1.0 CB D:HIS229 3.9 40.4 1.0 OE2 D:GLU130 4.0 47.6 1.0 NE2 D:GLN126 4.0 41.9 1.0 CG D:GLU226 4.1 44.0 1.0 CA D:GLU226 4.3 40.8 1.0 NE2 D:HIS229 4.5 47.6 1.0 CD2 D:HIS229 4.6 46.3 1.0 CB D:GLU192 4.7 44.9 1.0 CB D:GLU226 4.7 40.9 1.0 CG D:GLN126 4.7 40.5 1.0 CD D:GLN126 4.7 42.3 1.0 OE1 D:GLU192 4.8 55.0 1.0

Iron binding site 5 out of 8 in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe350 b:63.8 occ:0.70 ND1 E:HIS229 1.9 46.8 1.0 CE1 E:HIS229 2.6 43.1 1.0 OE1 E:GLU226 2.7 46.9 1.0 CG E:HIS229 2.9 41.3 1.0 NE2 E:GLN126 3.1 38.5 1.0 CD E:GLU226 3.1 45.2 1.0 OE2 E:GLU130 3.1 42.5 1.0 OE2 E:GLU192 3.2 56.5 1.0 CD E:GLU130 3.3 40.8 1.0 OE2 E:GLU226 3.3 41.9 1.0 OE1 E:GLU130 3.4 42.3 1.0 CB E:HIS229 3.5 41.0 1.0 NE2 E:HIS229 3.7 43.1 1.0 CD2 E:HIS229 3.8 40.6 1.0 CD E:GLN126 4.0 40.0 1.0 CD E:GLU192 4.1 51.6 1.0 CG E:GLU130 4.1 40.1 1.0 CG E:GLU192 4.1 45.5 1.0 CG E:GLU226 4.2 43.1 1.0 CA E:GLU226 4.4 40.8 1.0 OE1 E:GLN126 4.6 39.5 1.0 CG E:GLN126 4.7 39.6 1.0 CB E:GLU226 4.9 40.4 1.0 O E:ASP225 5.0 40.5 1.0

Iron binding site 6 out of 8 in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe350 b:54.5 occ:0.70 OE1 F:GLU226 2.0 49.0 1.0 OE2 F:GLU226 2.0 50.4 1.0 CD F:GLU226 2.0 48.5 1.0 OE1 F:GLU130 2.0 45.9 1.0 OE2 F:GLU192 2.1 50.4 1.0 NE2 F:GLN126 3.0 41.7 1.0 ND1 F:HIS229 3.0 49.3 1.0 CD F:GLU130 3.0 39.2 1.0 CD F:GLU192 3.3 47.0 1.0 CG F:GLU226 3.5 43.7 1.0 CG F:GLU130 3.7 39.1 1.0 CG F:HIS229 3.7 46.3 1.0 CE1 F:HIS229 3.8 51.4 1.0 OE2 F:GLU130 3.9 39.2 1.0 CB F:HIS229 3.9 42.6 1.0 CD F:GLN126 4.1 45.3 1.0 OE1 F:GLU192 4.1 46.4 1.0 CG F:GLU192 4.2 44.8 1.0 CG F:GLN126 4.3 43.0 1.0 CB F:GLU226 4.4 41.1 1.0 CB F:GLU192 4.5 43.3 1.0 CA F:GLU226 4.5 40.9 1.0 CD2 F:HIS229 4.8 50.2 1.0 NE2 F:HIS229 4.8 51.2 1.0

Iron binding site 7 out of 8 in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe350 b:58.5 occ:0.70 ND1 G:HIS229 1.9 45.0 1.0 OE1 G:GLU226 2.0 49.5 1.0 OE2 G:GLU192 2.1 50.4 1.0 CD G:GLU226 2.5 45.3 1.0 OE2 G:GLU226 2.7 45.5 1.0 CE1 G:HIS229 2.8 42.8 1.0 OE1 G:GLU130 2.9 38.3 1.0 CG G:HIS229 2.9 41.9 1.0 CD G:GLU192 3.3 45.6 1.0 CB G:HIS229 3.4 40.5 1.0 CD G:GLU130 3.5 37.7 1.0 CG G:GLU226 3.7 43.1 1.0 CA G:GLU226 3.8 40.8 1.0 NE2 G:HIS229 3.9 40.4 1.0 CD2 G:HIS229 4.0 39.3 1.0 CG G:GLU192 4.0 44.0 1.0 CB G:GLU226 4.1 40.8 1.0 CB G:GLU192 4.1 44.0 1.0 OE2 G:GLU130 4.2 37.3 1.0 CG G:GLU130 4.2 38.0 1.0 OE1 G:GLU192 4.3 45.0 1.0 O G:GLU226 4.6 41.2 1.0 N G:GLU226 4.6 40.5 1.0 CG G:GLN126 4.6 40.1 1.0 NE2 G:GLN126 4.7 43.8 1.0 C G:GLU226 4.7 41.0 1.0 CA G:HIS229 4.8 41.1 1.0 O G:ASP225 4.9 40.7 1.0 CD G:GLN126 4.9 42.9 1.0

Iron binding site 8 out of 8 in the Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe350 b:53.5 occ:0.70 ND1 H:HIS229 1.9 47.1 1.0 OE1 H:GLU226 2.0 46.1 1.0 OE2 H:GLU226 2.4 37.3 1.0 CD H:GLU226 2.4 41.3 1.0 CE1 H:HIS229 2.8 44.0 1.0 CG H:HIS229 2.9 44.9 1.0 OE1 H:GLU130 3.1 37.1 1.0 OE2 H:GLU192 3.2 44.4 1.0 OE1 H:GLN126 3.4 42.5 1.0 CB H:HIS229 3.4 42.2 1.0 CG H:GLU192 3.4 42.0 1.0 CD H:GLU192 3.5 41.6 1.0 CD H:GLU130 3.6 38.1 1.0 CG H:GLU226 3.8 41.0 1.0 CB H:GLU192 3.9 43.0 1.0 NE2 H:HIS229 3.9 43.8 1.0 CD2 H:HIS229 4.0 45.1 1.0 CG H:GLU130 4.1 37.4 1.0 CD H:GLN126 4.2 41.3 1.0 OE1 H:GLU192 4.3 40.8 1.0 CA H:GLU226 4.4 40.8 1.0 CB H:GLU226 4.4 40.9 1.0 OE2 H:GLU130 4.4 35.6 1.0 CG H:GLN126 4.4 40.4 1.0 CA H:HIS229 4.9 41.6 1.0 CA H:GLU192 5.0 43.3 1.0

A.K.Wernimont, A.Dong, J.Choe, M.Gao, J.Walker, J.Lew, Z.Alam, Y.Zhao, P.Nordlund, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, M.Sundstrom, A.Bochkarev, R.Hui, J.D.Artz. Plasmodium Yoelii Ribonucleotide Reductase Subunit R2 (PY03671) To Be Published.