Iron in PDB 3ovu: Crystal Structure of Human Alpha-Haemoglobin Complexed with Ahsp and the First Neat Domain of Isdh From Staphylococcus Aureus

The structure of Crystal Structure of Human Alpha-Haemoglobin Complexed with Ahsp and the First Neat Domain of Isdh From Staphylococcus Aureus, PDB code: 3ovu was solved by D.A.Jacques, K.Krishna Kumar, T.T.Caradoc-Davies, D.B.Langley, J.P.Mackay, J.M.Guss, D.A.Gell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.57 / 2.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.638, 71.659, 82.058, 90.00, 90.00, 90.00
R / Rfree (%)	25.2 / 28

The binding sites of Iron atom in the Crystal Structure of Human Alpha-Haemoglobin Complexed with Ahsp and the First Neat Domain of Isdh From Staphylococcus Aureus (pdb code 3ovu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Human Alpha-Haemoglobin Complexed with Ahsp and the First Neat Domain of Isdh From Staphylococcus Aureus, PDB code: 3ovu:

Iron binding site 1 out of 1 in the Crystal Structure of Human Alpha-Haemoglobin Complexed with Ahsp and the First Neat Domain of Isdh From Staphylococcus Aureus


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 Alpha-Haemoglobin Complexed with Ahsp and the First Neat Domain of Isdh From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:66.5 occ:1.00 FE C:HEM142 0.0 66.5 1.0 NA C:HEM142 2.1 66.0 1.0 NC C:HEM142 2.1 65.8 1.0 ND C:HEM142 2.1 65.8 1.0 NB C:HEM142 2.1 66.0 1.0 NE2 C:HIS89 2.2 58.8 1.0 NE2 C:HIS58 2.3 57.7 1.0 C1A C:HEM142 3.1 66.1 1.0 CD2 C:HIS58 3.1 58.4 1.0 C4D C:HEM142 3.1 65.4 1.0 C4C C:HEM142 3.1 65.7 1.0 C1D C:HEM142 3.1 65.6 1.0 C4A C:HEM142 3.1 66.3 1.0 C1C C:HEM142 3.1 65.2 1.0 C4B C:HEM142 3.1 65.6 1.0 C1B C:HEM142 3.1 65.8 1.0 CE1 C:HIS89 3.1 60.4 1.0 CD2 C:HIS89 3.3 59.7 1.0 CHA C:HEM142 3.4 65.7 1.0 CHD C:HEM142 3.4 65.5 1.0 CE1 C:HIS58 3.4 57.4 1.0 CHB C:HEM142 3.5 66.3 1.0 CHC C:HEM142 3.5 65.5 1.0 ND1 C:HIS89 4.3 61.7 1.0 C2A C:HEM142 4.3 66.8 1.0 C3A C:HEM142 4.3 66.7 1.0 C3C C:HEM142 4.3 65.7 1.0 C2C C:HEM142 4.3 65.0 1.0 C3D C:HEM142 4.3 65.8 1.0 C2D C:HEM142 4.3 65.5 1.0 CG C:HIS58 4.3 58.5 1.0 C3B C:HEM142 4.3 65.4 1.0 C2B C:HEM142 4.3 65.6 1.0 CG C:HIS89 4.3 60.3 1.0 ND1 C:HIS58 4.5 58.0 1.0 CG2 C:VAL62 4.9 55.0 1.0

K.Krishna Kumar, D.A.Jacques, T.T.Caradoc-Davies, T.Spirig, D.B.Langley, J.P.Mackay, J.M.Guss, R.T.Clubb, D.A.Gell. A New Haem Pocket Structure in Alpha-Haemoglobin To Be Published.