Iron in PDB 2oif: The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.

The structure of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin., PDB code: 2oif was solved by J.A.Hoy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.740, 60.557, 145.804, 99.17, 96.97, 92.43
R / Rfree (%)	20 / 25

The binding sites of Iron atom in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. (pdb code 2oif). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin., PDB code: 2oif:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe163 b:24.3 occ:1.00 FE A:HEM163 0.0 24.3 1.0 NC A:HEM163 2.0 22.3 1.0 C A:CYN201 2.0 25.5 1.0 NB A:HEM163 2.0 24.1 1.0 NA A:HEM163 2.0 25.3 1.0 ND A:HEM163 2.0 24.6 1.0 NE2 A:HIS105 2.1 27.9 1.0 C1C A:HEM163 3.0 27.4 1.0 C4B A:HEM163 3.0 27.4 1.0 N A:CYN201 3.0 26.0 1.0 C4D A:HEM163 3.0 27.1 1.0 C1A A:HEM163 3.0 29.3 1.0 C1B A:HEM163 3.0 26.4 1.0 C1D A:HEM163 3.0 26.2 1.0 C4C A:HEM163 3.0 27.9 1.0 C4A A:HEM163 3.0 28.1 1.0 CE1 A:HIS105 3.1 24.4 1.0 CD2 A:HIS105 3.1 25.6 1.0 CHC A:HEM163 3.3 24.9 1.0 CHA A:HEM163 3.4 26.7 1.0 CHB A:HEM163 3.4 27.1 1.0 CHD A:HEM163 3.4 25.7 1.0 ND1 A:HIS105 4.2 30.1 1.0 CG A:HIS105 4.2 27.4 1.0 C2C A:HEM163 4.2 26.9 1.0 C3D A:HEM163 4.3 28.4 1.0 C3B A:HEM163 4.3 26.1 1.0 C2A A:HEM163 4.3 31.1 1.0 C3C A:HEM163 4.3 27.8 1.0 C2D A:HEM163 4.3 24.8 1.0 C3A A:HEM163 4.3 30.8 1.0 C2B A:HEM163 4.3 27.6 1.0

Iron binding site 2 out of 8 in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe163 b:27.8 occ:1.00 FE B:HEM163 0.0 27.8 1.0 ND B:HEM163 1.9 32.4 1.0 NC B:HEM163 2.0 26.7 1.0 NB B:HEM163 2.0 30.1 1.0 NA B:HEM163 2.0 29.9 1.0 C B:CYN202 2.0 28.3 1.0 NE2 B:HIS105 2.0 28.1 1.0 CE1 B:HIS105 2.9 29.7 1.0 C1D B:HEM163 3.0 30.1 1.0 C4C B:HEM163 3.0 28.8 1.0 C4D B:HEM163 3.0 32.4 1.0 C1C B:HEM163 3.0 26.5 1.0 C4B B:HEM163 3.0 30.6 1.0 C1A B:HEM163 3.0 33.1 1.0 C1B B:HEM163 3.0 29.7 1.0 C4A B:HEM163 3.1 31.4 1.0 CD2 B:HIS105 3.1 28.7 1.0 N B:CYN202 3.1 28.8 1.0 CHD B:HEM163 3.3 28.9 1.0 CHC B:HEM163 3.4 28.9 1.0 CHA B:HEM163 3.4 33.9 1.0 CHB B:HEM163 3.4 27.6 1.0 ND1 B:HIS105 4.1 33.2 1.0 CG B:HIS105 4.2 31.9 1.0 C2D B:HEM163 4.2 32.2 1.0 C3D B:HEM163 4.2 32.9 1.0 C2C B:HEM163 4.2 28.6 1.0 C3C B:HEM163 4.2 26.7 1.0 C3B B:HEM163 4.3 28.9 1.0 C2B B:HEM163 4.3 28.9 1.0 C2A B:HEM163 4.3 35.7 1.0 C3A B:HEM163 4.3 33.7 1.0 CG2 B:VAL74 4.9 26.8 1.0

Iron binding site 3 out of 8 in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe163 b:29.2 occ:1.00 FE C:HEM163 0.0 29.2 1.0 ND C:HEM163 1.9 30.9 1.0 NB C:HEM163 2.0 28.8 1.0 NA C:HEM163 2.0 28.9 1.0 NC C:HEM163 2.0 29.6 1.0 C C:CYN203 2.1 29.1 1.0 NE2 C:HIS105 2.1 33.2 1.0 C1D C:HEM163 3.0 30.4 1.0 CD2 C:HIS105 3.0 30.4 1.0 C4B C:HEM163 3.0 31.2 1.0 C1A C:HEM163 3.0 33.5 1.0 C4A C:HEM163 3.0 32.3 1.0 C4D C:HEM163 3.0 33.4 1.0 C4C C:HEM163 3.0 28.8 1.0 C1C C:HEM163 3.0 28.5 1.0 C1B C:HEM163 3.1 28.5 1.0 N C:CYN203 3.2 31.4 1.0 CE1 C:HIS105 3.2 35.1 1.0 CHD C:HEM163 3.4 29.2 1.0 CHC C:HEM163 3.4 29.9 1.0 CHA C:HEM163 3.4 31.7 1.0 CHB C:HEM163 3.4 30.0 1.0 CG C:HIS105 4.2 31.5 1.0 C2D C:HEM163 4.2 30.4 1.0 ND1 C:HIS105 4.2 33.8 1.0 C3D C:HEM163 4.2 34.3 1.0 C3A C:HEM163 4.3 32.7 1.0 C2A C:HEM163 4.3 33.5 1.0 C3B C:HEM163 4.3 28.8 1.0 C2B C:HEM163 4.3 29.5 1.0 C2C C:HEM163 4.3 27.6 1.0 C3C C:HEM163 4.3 29.9 1.0

Iron binding site 4 out of 8 in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe163 b:25.1 occ:1.00 FE D:HEM163 0.0 25.1 1.0 ND D:HEM163 2.0 27.7 1.0 NA D:HEM163 2.0 27.6 1.0 NC D:HEM163 2.0 26.2 1.0 NB D:HEM163 2.0 27.9 1.0 C D:CYN204 2.0 30.5 1.0 NE2 D:HIS105 2.0 26.1 1.0 CE1 D:HIS105 3.0 26.4 1.0 C4A D:HEM163 3.0 27.1 1.0 C1D D:HEM163 3.0 28.1 1.0 C1A D:HEM163 3.0 29.9 1.0 C4D D:HEM163 3.0 28.0 1.0 C1C D:HEM163 3.0 26.3 1.0 C1B D:HEM163 3.0 26.1 1.0 C4B D:HEM163 3.0 28.1 1.0 CD2 D:HIS105 3.1 24.5 1.0 C4C D:HEM163 3.1 28.4 1.0 N D:CYN204 3.1 30.5 1.0 CHA D:HEM163 3.4 27.3 1.0 CHB D:HEM163 3.4 25.3 1.0 CHC D:HEM163 3.4 26.1 1.0 CHD D:HEM163 3.4 24.7 1.0 ND1 D:HIS105 4.1 28.1 1.0 CG D:HIS105 4.2 27.3 1.0 C3A D:HEM163 4.2 29.0 1.0 C2D D:HEM163 4.3 26.6 1.0 C2A D:HEM163 4.3 30.2 1.0 C3D D:HEM163 4.3 28.4 1.0 C2C D:HEM163 4.3 26.8 1.0 C3B D:HEM163 4.3 28.0 1.0 C2B D:HEM163 4.3 27.1 1.0 C3C D:HEM163 4.3 25.7 1.0 CE1 D:HIS70 4.9 30.6 1.0 CG2 D:VAL74 5.0 27.5 1.0 NE2 D:HIS70 5.0 29.7 1.0

Iron binding site 5 out of 8 in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe163 b:28.0 occ:1.00 FE E:HEM163 0.0 28.0 1.0 ND E:HEM163 2.0 30.0 1.0 NB E:HEM163 2.0 28.4 1.0 NC E:HEM163 2.0 27.2 1.0 NA E:HEM163 2.0 32.2 1.0 NE2 E:HIS105 2.1 28.5 1.0 C E:CYN205 2.1 32.8 1.0 C4B E:HEM163 3.0 27.3 1.0 CD2 E:HIS105 3.0 27.5 1.0 C1D E:HEM163 3.0 28.1 1.0 C1C E:HEM163 3.0 26.3 1.0 C4D E:HEM163 3.0 29.3 1.0 C1B E:HEM163 3.0 26.6 1.0 C4C E:HEM163 3.0 27.8 1.0 C1A E:HEM163 3.1 33.3 1.0 C4A E:HEM163 3.1 32.7 1.0 CE1 E:HIS105 3.1 31.0 1.0 N E:CYN205 3.2 33.0 1.0 CHC E:HEM163 3.4 26.1 1.0 CHA E:HEM163 3.4 30.8 1.0 CHD E:HEM163 3.4 29.1 1.0 CHB E:HEM163 3.5 30.6 1.0 CG E:HIS105 4.1 30.9 1.0 ND1 E:HIS105 4.2 30.6 1.0 C3B E:HEM163 4.2 26.5 1.0 C2D E:HEM163 4.2 27.2 1.0 C3D E:HEM163 4.3 26.3 1.0 C2B E:HEM163 4.3 27.6 1.0 C2C E:HEM163 4.3 28.4 1.0 C3C E:HEM163 4.3 28.7 1.0 C2A E:HEM163 4.3 33.9 1.0 C3A E:HEM163 4.3 34.9 1.0 CE1 E:HIS70 5.0 36.0 1.0

Iron binding site 6 out of 8 in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe163 b:25.5 occ:1.00 FE F:HEM163 0.0 25.5 1.0 C F:CYN206 1.9 26.5 1.0 ND F:HEM163 2.0 25.9 1.0 NA F:HEM163 2.0 25.4 1.0 NC F:HEM163 2.0 25.1 1.0 NB F:HEM163 2.0 24.9 1.0 NE2 F:HIS105 2.0 23.9 1.0 C4D F:HEM163 3.0 29.1 1.0 CE1 F:HIS105 3.0 25.7 1.0 N F:CYN206 3.0 26.9 1.0 C4B F:HEM163 3.0 26.6 1.0 C1C F:HEM163 3.0 25.4 1.0 C1A F:HEM163 3.0 27.9 1.0 C1D F:HEM163 3.0 27.5 1.0 C4C F:HEM163 3.0 25.5 1.0 C4A F:HEM163 3.0 26.1 1.0 C1B F:HEM163 3.1 27.0 1.0 CD2 F:HIS105 3.1 25.5 1.0 CHC F:HEM163 3.3 25.2 1.0 CHA F:HEM163 3.3 26.2 1.0 CHD F:HEM163 3.4 25.0 1.0 CHB F:HEM163 3.5 25.4 1.0 ND1 F:HIS105 4.1 26.8 1.0 C3D F:HEM163 4.2 32.9 1.0 CG F:HIS105 4.2 28.8 1.0 C2D F:HEM163 4.2 30.4 1.0 C2C F:HEM163 4.2 26.2 1.0 C2A F:HEM163 4.3 30.8 1.0 C3B F:HEM163 4.3 26.9 1.0 C3A F:HEM163 4.3 27.8 1.0 C3C F:HEM163 4.3 26.8 1.0 C2B F:HEM163 4.3 26.6 1.0 CG2 F:VAL74 5.0 27.6 1.0 CE1 F:HIS70 5.0 33.2 1.0

Iron binding site 7 out of 8 in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe163 b:25.6 occ:1.00 FE G:HEM163 0.0 25.6 1.0 ND G:HEM163 1.9 24.8 1.0 NB G:HEM163 2.0 25.0 1.0 NC G:HEM163 2.0 23.2 1.0 NA G:HEM163 2.0 25.3 1.0 C G:CYN207 2.0 28.1 1.0 NE2 G:HIS105 2.1 25.9 1.0 C4B G:HEM163 3.0 26.0 1.0 C1C G:HEM163 3.0 23.8 1.0 C1D G:HEM163 3.0 26.4 1.0 C4C G:HEM163 3.0 24.8 1.0 C1A G:HEM163 3.0 28.8 1.0 CE1 G:HIS105 3.0 27.1 1.0 C4A G:HEM163 3.0 25.4 1.0 C4D G:HEM163 3.0 27.2 1.0 C1B G:HEM163 3.0 24.7 1.0 N G:CYN207 3.1 27.8 1.0 CD2 G:HIS105 3.1 26.4 1.0 CHC G:HEM163 3.3 23.9 1.0 CHD G:HEM163 3.4 22.2 1.0 CHA G:HEM163 3.4 27.6 1.0 CHB G:HEM163 3.5 23.0 1.0 ND1 G:HIS105 4.1 25.8 1.0 CG G:HIS105 4.2 25.6 1.0 C2D G:HEM163 4.2 26.3 1.0 C2C G:HEM163 4.2 25.0 1.0 C3C G:HEM163 4.2 25.7 1.0 C3B G:HEM163 4.2 28.0 1.0 C3D G:HEM163 4.3 28.7 1.0 C2A G:HEM163 4.3 30.3 1.0 C3A G:HEM163 4.3 28.3 1.0 C2B G:HEM163 4.3 26.1 1.0 CE1 G:HIS70 5.0 31.1 1.0

Iron binding site 8 out of 8 in the The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Crystal Structure of Ferric Cyanide Bound Barley Hexacoordinate Hemoglobin. within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe163 b:25.9 occ:1.00 FE H:HEM163 0.0 25.9 1.0 C H:CYN208 2.0 23.0 1.0 ND H:HEM163 2.0 28.1 1.0 NB H:HEM163 2.0 27.2 1.0 NC H:HEM163 2.0 24.7 1.0 NA H:HEM163 2.0 27.4 1.0 NE2 H:HIS105 2.1 25.8 1.0 C1D H:HEM163 3.0 26.8 1.0 CD2 H:HIS105 3.0 27.0 1.0 C4D H:HEM163 3.0 31.2 1.0 C4A H:HEM163 3.0 27.4 1.0 C4C H:HEM163 3.0 27.2 1.0 C1A H:HEM163 3.0 30.9 1.0 C1B H:HEM163 3.1 26.8 1.0 C1C H:HEM163 3.1 24.3 1.0 C4B H:HEM163 3.1 27.5 1.0 CE1 H:HIS105 3.1 27.5 1.0 N H:CYN208 3.1 22.4 1.0 CHD H:HEM163 3.4 24.9 1.0 CHB H:HEM163 3.4 26.9 1.0 CHA H:HEM163 3.4 30.9 1.0 CHC H:HEM163 3.4 23.3 1.0 ND1 H:HIS105 4.2 31.1 1.0 CG H:HIS105 4.2 28.9 1.0 C2D H:HEM163 4.2 27.8 1.0 C3D H:HEM163 4.2 31.4 1.0 C3A H:HEM163 4.3 31.6 1.0 C3C H:HEM163 4.3 27.9 1.0 C2C H:HEM163 4.3 26.8 1.0 C2A H:HEM163 4.3 33.6 1.0 C2B H:HEM163 4.3 27.4 1.0 C3B H:HEM163 4.3 28.4 1.0 NE2 H:HIS70 5.0 23.0 1.0

J.A.Hoy, H.Robinson, J.T.Trent Iii, S.Kakar, B.J.Smagghe, M.S.Hargrove. Plant Hemoglobins: A Molecular Fossil Record For the Evolution of Oxygen Transport J.Mol.Biol. V. 371 168 2007.
ISSN: ISSN 0022-2836
PubMed: 17560601
DOI: 10.1016/J.JMB.2007.05.029