Iron in PDB 2bk9: Drosophila Melanogaster Globin

The structure of Drosophila Melanogaster Globin, PDB code: 2bk9 was solved by D.De Sanctis, S.Dewilde, A.Pesce, L.Moens, P.Ascenzi, T.Hankeln, T.Burmester, M.Ponassi, M.Nardini, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.75 / 1.2
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.752, 55.835, 56.163, 90.00, 90.00, 90.00
R / Rfree (%)	10.1 / 13.4

The structure of Drosophila Melanogaster Globin also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the Drosophila Melanogaster Globin (pdb code 2bk9). 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 Drosophila Melanogaster Globin, PDB code: 2bk9:

Iron binding site 1 out of 1 in the Drosophila Melanogaster Globin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Drosophila Melanogaster Globin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1154 b:5.5 occ:1.00 FE A:HEM1154 0.0 5.5 1.0 NE2 A:HIS96 2.0 5.3 1.0 NA A:HEM1154 2.0 6.2 1.0 ND A:HEM1154 2.0 6.5 1.0 NB A:HEM1154 2.0 5.4 1.0 NC A:HEM1154 2.0 5.7 1.0 NE2 A:HIS61 2.0 6.1 1.0 CE1 A:HIS96 2.9 5.7 1.0 C1A A:HEM1154 3.0 7.0 1.0 C4D A:HEM1154 3.0 6.7 1.0 CE1 A:HIS61 3.0 8.4 1.0 CD2 A:HIS96 3.0 6.0 1.0 C1C A:HEM1154 3.0 5.9 1.0 CD2 A:HIS61 3.0 5.8 1.0 C1D A:HEM1154 3.0 5.7 1.0 C4A A:HEM1154 3.1 6.8 1.0 C4B A:HEM1154 3.1 5.1 1.0 C1B A:HEM1154 3.1 6.4 1.0 C4C A:HEM1154 3.1 5.7 1.0 HE1 A:HIS96 3.1 5.5 1.0 HE1 A:HIS61 3.2 7.3 1.0 HD2 A:HIS61 3.2 6.6 1.0 HD2 A:HIS96 3.2 5.6 1.0 CHA A:HEM1154 3.3 7.3 1.0 CHC A:HEM1154 3.4 6.4 1.0 CHD A:HEM1154 3.4 5.8 1.0 CHB A:HEM1154 3.4 6.8 1.0 ND1 A:HIS96 4.1 6.2 1.0 ND1 A:HIS61 4.1 9.2 1.0 CG A:HIS96 4.1 5.3 1.0 CG A:HIS61 4.2 6.7 1.0 HZ A:PHE42 4.2 8.4 1.0 C2A A:HEM1154 4.2 8.5 1.0 C2D A:HEM1154 4.2 6.6 1.0 C3D A:HEM1154 4.2 7.4 1.0 C2C A:HEM1154 4.3 6.0 1.0 C3A A:HEM1154 4.3 7.5 1.0 C3B A:HEM1154 4.3 6.0 1.0 C3C A:HEM1154 4.3 6.2 1.0 C2B A:HEM1154 4.3 6.3 1.0 HHA A:HEM1154 4.3 7.2 1.0 HHC A:HEM1154 4.3 6.1 1.0 HHD A:HEM1154 4.3 6.0 1.0 HHB A:HEM1154 4.4 6.6 1.0 H2 A:HOH2161 4.7 12.4 1.0 HD1 A:HIS96 4.8 6.3 0.0 HD1 A:HIS61 4.9 9.6 0.0 HE1 A:PHE42 4.9 8.7 1.0 CZ A:PHE42 5.0 8.8 1.0 H2 A:HOH2220 5.0 17.8 0.5

D.De Sanctis, S.Dewilde, C.Vonrhein, A.Pesce, L.Moens, P.Ascenzi, T.Hankeln, T.Burmester, M.Ponassi, M.Nardini, M.Bolognesi. Bishistidyl Heme Hexacoordination, A Key Structural Property in Drosophila Melanogaster Hemoglobin J.Biol.Chem. V. 280 27222 2005.
ISSN: ISSN 0021-9258
PubMed: 15917230
DOI: 10.1074/JBC.M503814200