Iron in PDB 1gjn: Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2

The structure of Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2, PDB code: 1gjn was solved by H.-P.Hersleth, B.Dalhus, C.H.Gorbitz, K.K.Andersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.79 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.862, 28.650, 35.352, 90.00, 105.93, 90.00
R / Rfree (%)	17.8 / 20.5

The binding sites of Iron atom in the Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2 (pdb code 1gjn). 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 Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2, PDB code: 1gjn:

Iron binding site 1 out of 1 in the Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1154 b:9.4 occ:1.00 FE A:HEM1154 0.0 9.4 1.0 O A:OH1155 1.9 11.2 1.0 ND A:HEM1154 2.0 8.3 1.0 NA A:HEM1154 2.0 8.5 1.0 NC A:HEM1154 2.0 7.5 1.0 NB A:HEM1154 2.0 8.8 1.0 NE2 A:HIS93 2.1 9.4 1.0 C1D A:HEM1154 3.0 9.0 1.0 C4C A:HEM1154 3.0 8.0 1.0 C4D A:HEM1154 3.0 8.2 1.0 C1A A:HEM1154 3.0 8.2 1.0 C4A A:HEM1154 3.1 9.5 1.0 C1C A:HEM1154 3.1 7.5 1.0 C4B A:HEM1154 3.1 9.6 1.0 C1B A:HEM1154 3.1 8.9 1.0 CE1 A:HIS93 3.1 13.3 1.0 CD2 A:HIS93 3.1 8.2 1.0 CHD A:HEM1154 3.4 8.9 1.0 CHA A:HEM1154 3.4 8.3 1.0 CHB A:HEM1154 3.4 8.5 1.0 CHC A:HEM1154 3.5 7.8 1.0 NE2 A:HIS64 4.2 10.2 1.0 C2D A:HEM1154 4.2 9.4 1.0 ND1 A:HIS93 4.2 10.8 1.0 C3D A:HEM1154 4.2 10.2 1.0 C2A A:HEM1154 4.3 7.5 1.0 C2C A:HEM1154 4.3 8.7 1.0 CG A:HIS93 4.3 9.2 1.0 C3A A:HEM1154 4.3 8.2 1.0 C3C A:HEM1154 4.3 8.3 1.0 C2B A:HEM1154 4.3 9.5 1.0 C3B A:HEM1154 4.3 8.9 1.0 CG2 A:VAL68 4.6 8.2 1.0 CE1 A:HIS64 4.8 12.0 1.0 CZ A:PHE43 4.9 12.0 1.0

H.-P.Hersleth, B.Dalhus, C.H.Gorbitz, K.K.Andersson. An Iron Hydroxide Moiety in the 1.35 A Resolution Structure of Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2 J.Biol.Inorg.Chem. V. 7 299 2002.
ISSN: ISSN 0949-8257
PubMed: 11935353
DOI: 10.1007/S007750100296