Iron in PDB 1j3z: Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed)

The structure of Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed), PDB code: 1j3z was solved by S.Adachi, S.-Y.Park, J.R.H.Tame, Y.Shiro, N.Shibayama, Rikenstructural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.057, 93.702, 99.209, 90.00, 101.14, 90.00
R / Rfree (%)	15.9 / 19.6

The structure of Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed) also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Iron atom in the Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed) (pdb code 1j3z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed), PDB code: 1j3z:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:13.0 occ:1.00 FE A:HEM142 0.0 13.0 1.0 C A:CMO143 1.6 15.2 1.0 NC A:HEM142 2.0 13.3 1.0 NB A:HEM142 2.0 12.1 1.0 ND A:HEM142 2.0 12.2 1.0 NA A:HEM142 2.0 12.8 1.0 NE2 A:HIS87 2.1 13.2 1.0 O A:CMO143 2.8 14.7 1.0 C4C A:HEM142 3.0 13.5 1.0 CE1 A:HIS87 3.0 14.9 1.0 C1C A:HEM142 3.0 13.1 1.0 C4B A:HEM142 3.0 13.3 1.0 C1D A:HEM142 3.0 12.8 1.0 C4D A:HEM142 3.1 13.4 1.0 C1B A:HEM142 3.1 13.1 1.0 C1A A:HEM142 3.1 13.3 1.0 C4A A:HEM142 3.1 13.1 1.0 CD2 A:HIS87 3.2 12.5 1.0 CHD A:HEM142 3.4 12.7 1.0 CHC A:HEM142 3.4 13.9 1.0 CHA A:HEM142 3.4 13.2 1.0 CHB A:HEM142 3.5 12.8 1.0 ND1 A:HIS87 4.2 14.6 1.0 C3C A:HEM142 4.2 13.0 1.0 C2C A:HEM142 4.2 13.3 1.0 C3B A:HEM142 4.3 13.1 1.0 C2B A:HEM142 4.3 11.6 1.0 C2D A:HEM142 4.3 14.3 1.0 C3D A:HEM142 4.3 12.6 1.0 C3A A:HEM142 4.3 14.1 1.0 C2A A:HEM142 4.3 14.3 1.0 CG A:HIS87 4.3 14.4 1.0 NE2 A:HIS58 4.4 18.6 1.0

Iron binding site 2 out of 4 in the Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:11.4 occ:1.00 FE C:HEM142 0.0 11.4 1.0 C C:CMO143 1.7 15.9 1.0 NC C:HEM142 2.0 10.8 1.0 ND C:HEM142 2.0 10.2 1.0 NA C:HEM142 2.0 10.7 1.0 NB C:HEM142 2.0 10.3 1.0 NE2 C:HIS87 2.2 13.7 1.0 O C:CMO143 2.9 16.4 1.0 C1C C:HEM142 3.0 10.5 1.0 C1A C:HEM142 3.0 10.8 1.0 C4B C:HEM142 3.0 10.1 1.0 CE1 C:HIS87 3.0 13.8 1.0 C1D C:HEM142 3.0 11.5 1.0 C4C C:HEM142 3.1 11.4 1.0 C4D C:HEM142 3.1 9.6 1.0 C4A C:HEM142 3.1 11.9 1.0 C1B C:HEM142 3.1 11.4 1.0 CD2 C:HIS87 3.3 13.0 1.0 CHC C:HEM142 3.4 10.1 1.0 CHA C:HEM142 3.4 10.4 1.0 CHD C:HEM142 3.4 11.3 1.0 CHB C:HEM142 3.5 11.0 1.0 ND1 C:HIS87 4.2 13.3 1.0 C2C C:HEM142 4.3 11.1 1.0 C3C C:HEM142 4.3 11.4 1.0 C2A C:HEM142 4.3 13.0 1.0 C2D C:HEM142 4.3 12.1 1.0 C3B C:HEM142 4.3 12.0 1.0 C3A C:HEM142 4.3 12.3 1.0 C3D C:HEM142 4.3 11.8 1.0 C2B C:HEM142 4.3 11.0 1.0 CG C:HIS87 4.4 12.4 1.0 NE2 C:HIS58 4.4 15.7 1.0 CD1 C:LEU91 4.7 14.7 1.0

Iron binding site 3 out of 4 in the Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe142 b:10.3 occ:1.00 FE E:HEM142 0.0 10.3 1.0 C E:CMO143 1.7 15.4 1.0 NC E:HEM142 2.0 10.3 1.0 NB E:HEM142 2.0 10.9 1.0 NA E:HEM142 2.1 10.4 1.0 ND E:HEM142 2.1 10.5 1.0 NE2 E:HIS87 2.2 12.2 1.0 O E:CMO143 2.9 16.2 1.0 C4C E:HEM142 3.0 9.4 1.0 CE1 E:HIS87 3.0 12.2 1.0 C1B E:HEM142 3.1 10.3 1.0 C1C E:HEM142 3.1 11.6 1.0 C4B E:HEM142 3.1 11.5 1.0 C4A E:HEM142 3.1 11.8 1.0 C1D E:HEM142 3.1 10.2 1.0 C1A E:HEM142 3.1 12.4 1.0 C4D E:HEM142 3.1 10.2 1.0 CD2 E:HIS87 3.3 11.0 1.0 CHD E:HEM142 3.4 11.0 1.0 CHB E:HEM142 3.4 10.6 1.0 CHC E:HEM142 3.4 10.7 1.0 CHA E:HEM142 3.4 11.0 1.0 ND1 E:HIS87 4.2 12.6 1.0 C3C E:HEM142 4.2 11.8 1.0 C2C E:HEM142 4.2 10.9 1.0 C2B E:HEM142 4.3 9.9 1.0 C3B E:HEM142 4.3 10.8 1.0 C2A E:HEM142 4.3 12.8 1.0 C3A E:HEM142 4.3 12.2 1.0 C3D E:HEM142 4.3 11.0 1.0 C2D E:HEM142 4.3 11.9 1.0 CG E:HIS87 4.4 12.1 1.0 NE2 E:HIS58 4.5 16.9 1.0 CD1 E:LEU91 4.9 11.3 1.0 CG2 E:VAL62 5.0 11.3 1.0

Iron binding site 4 out of 4 in the Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Direct Observation of Photolysis-Induced Tertiary Structural Changes in Human Haemoglobin; Crystal Structure of Alpha(Fe-Co)-Beta(Ni) Hemoglobin (Laser Unphotolysed) within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe142 b:10.0 occ:1.00 FE G:HEM142 0.0 10.0 1.0 C G:CMO143 1.6 14.1 1.0 NC G:HEM142 2.0 9.3 1.0 NB G:HEM142 2.0 10.2 1.0 NA G:HEM142 2.0 9.4 1.0 ND G:HEM142 2.1 8.8 1.0 NE2 G:HIS87 2.2 10.8 1.0 O G:CMO143 2.8 16.4 1.0 C4C G:HEM142 3.0 9.9 1.0 C1C G:HEM142 3.0 11.2 1.0 C4B G:HEM142 3.0 10.0 1.0 C4A G:HEM142 3.1 9.9 1.0 CE1 G:HIS87 3.1 10.8 1.0 C1A G:HEM142 3.1 9.7 1.0 C1D G:HEM142 3.1 9.5 1.0 C1B G:HEM142 3.1 10.7 1.0 C4D G:HEM142 3.1 10.0 1.0 CD2 G:HIS87 3.3 9.3 1.0 CHC G:HEM142 3.4 10.0 1.0 CHD G:HEM142 3.4 10.3 1.0 CHA G:HEM142 3.4 10.3 1.0 CHB G:HEM142 3.4 9.9 1.0 ND1 G:HIS87 4.2 11.1 1.0 C2C G:HEM142 4.2 9.9 1.0 C3C G:HEM142 4.2 8.9 1.0 C3A G:HEM142 4.3 10.3 1.0 C3B G:HEM142 4.3 10.8 1.0 C2A G:HEM142 4.3 10.8 1.0 C2B G:HEM142 4.3 9.7 1.0 NE2 G:HIS58 4.3 19.4 1.0 C2D G:HEM142 4.3 11.2 1.0 C3D G:HEM142 4.3 11.1 1.0 CG G:HIS87 4.4 10.7 1.0 CD1 G:LEU91 4.8 12.3 1.0

S.Adachi, S.-Y.Park, J.R.H.Tame, Y.Shiro, N.Shibayama. Direct Observation of Photolysis-Induced Tertiary Structural Changes in Hemoglobin Proc.Natl.Acad.Sci.Usa V. 100 7039 2003.
ISSN: ISSN 0027-8424
PubMed: 12773618
DOI: 10.1073/PNAS.1230629100