Iron in PDB 2v1k: Crystal Structure of Ferrous Deoxymyoglobin at pH 6.8

The structure of Crystal Structure of Ferrous Deoxymyoglobin at pH 6.8, PDB code: 2v1k 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)	26.78 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.900, 28.750, 35.440, 90.00, 105.72, 90.00
R / Rfree (%)	13.4 / 16.4

The binding sites of Iron atom in the Crystal Structure of Ferrous Deoxymyoglobin at pH 6.8 (pdb code 2v1k). 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 Ferrous Deoxymyoglobin at pH 6.8, PDB code: 2v1k:

Iron binding site 1 out of 1 in the Crystal Structure of Ferrous Deoxymyoglobin 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 Ferrous Deoxymyoglobin at pH 6.8 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 NA A:HEM1154 2.1 8.8 1.0 NB A:HEM1154 2.1 8.6 1.0 ND A:HEM1154 2.1 9.2 1.0 NC A:HEM1154 2.1 9.0 1.0 NE2 A:HIS93 2.1 8.8 1.0 CE1 A:HIS93 3.1 10.6 1.0 C4A A:HEM1154 3.1 8.6 1.0 C1D A:HEM1154 3.1 9.8 1.0 C4C A:HEM1154 3.1 10.2 1.0 C1A A:HEM1154 3.1 9.4 1.0 C4B A:HEM1154 3.1 9.7 1.0 C1B A:HEM1154 3.1 8.7 1.0 C4D A:HEM1154 3.1 9.2 1.0 C1C A:HEM1154 3.1 9.0 1.0 CD2 A:HIS93 3.2 8.8 1.0 CHD A:HEM1154 3.4 9.3 1.0 CHB A:HEM1154 3.4 9.4 1.0 CHC A:HEM1154 3.5 9.5 1.0 CHA A:HEM1154 3.5 9.4 1.0 O A:HOH2186 3.7 32.8 1.0 ND1 A:HIS93 4.2 11.3 1.0 CG A:HIS93 4.3 10.8 1.0 C3A A:HEM1154 4.3 9.8 1.0 C2A A:HEM1154 4.3 9.5 1.0 C3B A:HEM1154 4.3 10.1 1.0 C3C A:HEM1154 4.3 10.2 1.0 NE2 A:HIS64 4.3 13.2 1.0 C2B A:HEM1154 4.3 9.8 1.0 C2D A:HEM1154 4.3 10.0 1.0 C2C A:HEM1154 4.3 9.6 1.0 C3D A:HEM1154 4.3 10.4 1.0 CG2 A:VAL68 4.5 10.5 1.0 CE1 A:HIS64 4.9 14.0 1.0 CD2 A:HIS97 5.0 13.7 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