Iron in PDB 1ljw: Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition

The structure of Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition, PDB code: 1ljw was solved by M.K.Safo, J.C.Burnett, F.N.Musayev, S.Nokuri, D.J.Abraham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.00 / 2.16
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.566, 53.566, 192.960, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 25.9

The binding sites of Iron atom in the Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition (pdb code 1ljw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition, PDB code: 1ljw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition


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 Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:21.8 occ:1.00 FE A:HEM143 0.0 21.8 1.0 C A:CMO342 1.8 19.9 1.0 ND A:HEM143 2.0 22.8 1.0 NA A:HEM143 2.0 26.0 1.0 NC A:HEM143 2.0 16.8 1.0 NB A:HEM143 2.0 18.1 1.0 NE2 A:HIS87 2.1 23.8 1.0 CE1 A:HIS87 3.0 30.6 1.0 C4D A:HEM143 3.0 25.6 1.0 C4A A:HEM143 3.0 22.8 1.0 C1D A:HEM143 3.0 21.2 1.0 C1A A:HEM143 3.0 24.6 1.0 C4C A:HEM143 3.1 18.2 1.0 O A:CMO342 3.1 25.2 1.0 C1C A:HEM143 3.1 22.9 1.0 C1B A:HEM143 3.1 27.9 1.0 C4B A:HEM143 3.1 22.9 1.0 CD2 A:HIS87 3.1 24.0 1.0 CHA A:HEM143 3.4 19.6 1.0 CHB A:HEM143 3.4 19.1 1.0 CHD A:HEM143 3.4 23.6 1.0 CHC A:HEM143 3.5 21.4 1.0 ND1 A:HIS87 4.2 30.1 1.0 C2D A:HEM143 4.2 21.6 1.0 C3A A:HEM143 4.2 30.8 1.0 C3D A:HEM143 4.3 23.8 1.0 CG A:HIS87 4.3 31.0 1.0 C2A A:HEM143 4.3 25.7 1.0 C2C A:HEM143 4.3 26.0 1.0 C3C A:HEM143 4.3 28.8 1.0 C3B A:HEM143 4.3 25.1 1.0 C2B A:HEM143 4.3 29.0 1.0 NE2 A:HIS58 4.4 29.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition


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 Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:32.2 occ:1.00 FE B:HEM148 0.0 32.2 1.0 C B:CMO347 1.8 22.7 1.0 NA B:HEM148 2.0 32.3 1.0 NB B:HEM148 2.0 26.0 1.0 NE2 B:HIS92 2.0 26.0 1.0 ND B:HEM148 2.0 30.2 1.0 NC B:HEM148 2.1 30.2 1.0 CE1 B:HIS92 2.9 30.4 1.0 C1A B:HEM148 3.0 29.1 1.0 C4A B:HEM148 3.0 26.9 1.0 C4B B:HEM148 3.0 21.8 1.0 C1B B:HEM148 3.1 24.5 1.0 O B:CMO347 3.1 22.4 1.0 C1C B:HEM148 3.1 23.8 1.0 CD2 B:HIS92 3.1 28.0 1.0 C4D B:HEM148 3.1 29.3 1.0 C1D B:HEM148 3.1 30.9 1.0 C4C B:HEM148 3.2 22.7 1.0 CHA B:HEM148 3.4 31.4 1.0 CHC B:HEM148 3.4 23.0 1.0 CHB B:HEM148 3.4 26.9 1.0 CHD B:HEM148 3.6 21.7 1.0 ND1 B:HIS92 4.1 34.8 1.0 CG B:HIS92 4.2 36.4 1.0 C3A B:HEM148 4.3 26.2 1.0 C2A B:HEM148 4.3 35.5 1.0 C2B B:HEM148 4.3 20.4 1.0 C2C B:HEM148 4.3 27.7 1.0 C3B B:HEM148 4.3 24.0 1.0 C3D B:HEM148 4.3 32.8 1.0 C2D B:HEM148 4.4 31.1 1.0 C3C B:HEM148 4.4 24.5 1.0 NE2 B:HIS63 4.4 36.1 1.0 CG2 B:VAL67 4.5 29.4 1.0

M.K.Safo, J.C.Burnett, F.N.Musayev, S.Nokuri, D.J.Abraham. Structure of Human Carbonmonoxyhemoglobin at 2.16 A: A Snapshot of the Allosteric Transition. Acta Crystallogr.,Sect.D V. 58 2031 2002.
ISSN: ISSN 0907-4449
PubMed: 12454461
DOI: 10.1107/S0907444902015809