Iron in PDB 2vly: Crystal Structure of Myoglobin Compound III (Radiation- Induced)

The structure of Crystal Structure of Myoglobin Compound III (Radiation- Induced), PDB code: 2vly was solved by H.-P.Hersleth, 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)	21.94 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.760, 28.730, 35.440, 90.00, 105.83, 90.00
R / Rfree (%)	16.7 / 20.9

The binding sites of Iron atom in the Crystal Structure of Myoglobin Compound III (Radiation- Induced) (pdb code 2vly). 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 Myoglobin Compound III (Radiation- Induced), PDB code: 2vly:

Iron binding site 1 out of 1 in the Crystal Structure of Myoglobin Compound III (Radiation- Induced)


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 Myoglobin Compound III (Radiation- Induced) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1154 b:12.4 occ:1.00 FE A:HEM1154 0.0 12.4 1.0 O2 A:OXY1155 1.8 17.4 1.0 NA A:HEM1154 2.0 10.6 1.0 NB A:HEM1154 2.0 11.7 1.0 ND A:HEM1154 2.1 11.0 1.0 NC A:HEM1154 2.1 11.4 1.0 NE2 A:HIS93 2.1 10.3 1.0 O1 A:OXY1155 2.6 20.8 1.0 CE1 A:HIS93 3.0 12.6 1.0 C1A A:HEM1154 3.0 11.6 1.0 C1B A:HEM1154 3.0 9.1 1.0 C1D A:HEM1154 3.1 11.4 1.0 C4D A:HEM1154 3.1 11.5 1.0 C4C A:HEM1154 3.1 11.4 1.0 C4A A:HEM1154 3.1 11.3 1.0 C1C A:HEM1154 3.1 11.0 1.0 CD2 A:HIS93 3.1 13.1 1.0 C4B A:HEM1154 3.1 11.9 1.0 CHA A:HEM1154 3.4 11.2 1.0 CHD A:HEM1154 3.4 11.9 1.0 CHB A:HEM1154 3.4 10.7 1.0 CHC A:HEM1154 3.5 11.9 1.0 ND1 A:HIS93 4.2 13.9 1.0 CG A:HIS93 4.2 13.2 1.0 C2A A:HEM1154 4.3 10.3 1.0 C3A A:HEM1154 4.3 12.2 1.0 C2B A:HEM1154 4.3 10.8 1.0 C2D A:HEM1154 4.3 10.8 1.0 C3B A:HEM1154 4.3 9.6 1.0 C2C A:HEM1154 4.3 11.7 1.0 C3D A:HEM1154 4.3 11.8 1.0 C3C A:HEM1154 4.3 11.7 1.0 NE2 A:HIS64 4.5 13.9 1.0 CG2 A:VAL68 4.6 7.2 1.0 CE1 A:HIS64 5.0 15.3 1.0 O A:HOH2001 5.0 33.4 1.0

H.-P.Hersleth, Y.Hsiao, U.Ryde, C.H.Gorbitz, K.K.Andersson. The Crystal Structure of Peroxymyoglobin Generated Through Cryoradiolytic Reduction of Myoglobin Compound III During Data Collection. Biochem.J. V. 412 257 2008.
ISSN: ISSN 0264-6021
PubMed: 18215120
DOI: 10.1042/BJ20070921