Iron in PDB 2v1i: Crystal Structure of Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin at pH 6.8

The structure of Crystal Structure of Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin at pH 6.8, PDB code: 2v1i 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)	21.95 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.872, 28.762, 35.347, 90.00, 106.13, 90.00
R / Rfree (%)	13.7 / 16.8

The binding sites of Iron atom in the Crystal Structure of Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin at pH 6.8 (pdb code 2v1i). 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 Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin at pH 6.8, PDB code: 2v1i:

Iron binding site 1 out of 1 in the Crystal Structure of Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin at pH 6.8


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 Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin at pH 6.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1154 b:6.8 occ:1.00 FE A:HEM1154 0.0 6.8 1.0 NA A:HEM1154 2.0 6.8 1.0 NB A:HEM1154 2.0 6.3 1.0 ND A:HEM1154 2.0 7.2 1.0 NC A:HEM1154 2.0 7.0 1.0 O A:HOH2102 2.0 7.5 1.0 NE2 A:HIS93 2.1 7.6 1.0 CE1 A:HIS93 3.0 9.2 1.0 C4C A:HEM1154 3.1 7.5 1.0 C1D A:HEM1154 3.1 7.4 1.0 C4A A:HEM1154 3.1 6.4 1.0 C4D A:HEM1154 3.1 7.8 1.0 C4B A:HEM1154 3.1 6.9 1.0 CD2 A:HIS93 3.1 7.1 1.0 C1A A:HEM1154 3.1 7.0 1.0 C1B A:HEM1154 3.1 6.8 1.0 C1C A:HEM1154 3.1 6.9 1.0 CHD A:HEM1154 3.4 7.3 1.0 CHB A:HEM1154 3.4 7.0 1.0 CHC A:HEM1154 3.4 7.2 1.0 CHA A:HEM1154 3.4 7.6 1.0 ND1 A:HIS93 4.2 8.9 1.0 CG A:HIS93 4.2 7.2 1.0 C3C A:HEM1154 4.3 7.8 1.0 C3A A:HEM1154 4.3 7.7 1.0 C2A A:HEM1154 4.3 7.2 1.0 C3B A:HEM1154 4.3 7.4 1.0 C2D A:HEM1154 4.3 8.4 1.0 C2C A:HEM1154 4.3 7.6 1.0 C3D A:HEM1154 4.3 9.1 1.0 NE2 A:HIS64 4.3 8.4 1.0 C2B A:HEM1154 4.3 6.8 1.0 CG2 A:VAL68 4.7 8.2 1.0 CE1 A:HIS64 4.8 8.7 1.0 CZ A:PHE43 5.0 11.7 1.0

H.-P.Hersleth, T.Uchida, A.K.Rohr, T.Teschner, V.Schunemann, T.Kitagawa, A.X.Trautwein, C.H.Gorbitz, K.K.Andersson. Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(IV)-O J.Biol.Chem. V. 282 23372 2007.
ISSN: ISSN 0021-9258
PubMed: 17565988
DOI: 10.1074/JBC.M701948200