Iron in PDB 3lr9: X-Ray Photogenerated Ferrous Horse Heart Myoglobin, Nitrite Adduct

The structure of X-Ray Photogenerated Ferrous Horse Heart Myoglobin, Nitrite Adduct, PDB code: 3lr9 was solved by J.Yi, A.M.Orville, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.74 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.327, 28.691, 62.911, 90.00, 105.64, 90.00
R / Rfree (%)	17.8 / 21.2

The binding sites of Iron atom in the X-Ray Photogenerated Ferrous Horse Heart Myoglobin, Nitrite Adduct (pdb code 3lr9). 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 X-Ray Photogenerated Ferrous Horse Heart Myoglobin, Nitrite Adduct, PDB code: 3lr9:

Iron binding site 1 out of 1 in the X-Ray Photogenerated Ferrous Horse Heart Myoglobin, Nitrite Adduct


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Photogenerated Ferrous Horse Heart Myoglobin, Nitrite Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:9.2 occ:1.00 FE A:HEM154 0.0 9.2 1.0 O1 A:NO2155 2.0 7.9 1.0 NE2 A:HIS93 2.0 7.0 1.0 ND A:HEM154 2.0 7.9 1.0 NA A:HEM154 2.1 7.5 1.0 NB A:HEM154 2.1 8.0 1.0 NC A:HEM154 2.1 8.6 1.0 N A:NO2155 2.8 13.1 1.0 CE1 A:HIS93 3.0 12.0 1.0 CD2 A:HIS93 3.0 8.5 1.0 C1D A:HEM154 3.0 8.3 1.0 C1B A:HEM154 3.1 9.1 1.0 C1A A:HEM154 3.1 8.4 1.0 C4C A:HEM154 3.1 8.1 1.0 C4D A:HEM154 3.1 8.6 1.0 C4A A:HEM154 3.1 8.1 1.0 C1C A:HEM154 3.1 6.9 1.0 C4B A:HEM154 3.1 9.0 1.0 CHD A:HEM154 3.4 9.3 1.0 CHB A:HEM154 3.4 9.6 1.0 CHA A:HEM154 3.4 7.3 1.0 CHC A:HEM154 3.5 8.0 1.0 O2 A:NO2155 3.9 14.1 1.0 ND1 A:HIS93 4.1 11.1 1.0 CG A:HIS93 4.2 9.2 1.0 C2D A:HEM154 4.3 10.1 1.0 C2A A:HEM154 4.3 7.6 1.0 C2B A:HEM154 4.3 8.8 1.0 C3C A:HEM154 4.3 8.7 1.0 C3A A:HEM154 4.3 8.9 1.0 C3D A:HEM154 4.3 11.9 1.0 C2C A:HEM154 4.3 9.1 1.0 C3B A:HEM154 4.3 8.6 1.0 NE2 A:HIS64 4.4 9.6 1.0 CG2 A:VAL68 4.7 9.8 1.0 CE1 A:HIS64 5.0 12.0 1.0

J.Yi, A.M.Orville, J.M.Skinner, M.J.Skinner, G.B.Richter-Addo. Synchrotron X-Ray-Induced Photoreduction of Ferric Myoglobin Nitrite Crystals Gives the Ferrous Derivative with Retention of the O-Bonded Nitrite Ligand. Biochemistry V. 49 5969 2010.
ISSN: ISSN 0006-2960
PubMed: 20568729
DOI: 10.1021/BI100801G