Iron in PDB 1kfr: Structural Plasticity in the Eight-Helix Fold of A Trematode Hemoglobin

The structure of Structural Plasticity in the Eight-Helix Fold of A Trematode Hemoglobin, PDB code: 1kfr was solved by M.Milani, A.Pesce, S.Dewilde, P.Ascenzi, L.Moens, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.00 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.117, 31.450, 54.952, 90.00, 95.50, 90.00
R / Rfree (%)	16.1 / 22

The binding sites of Iron atom in the Structural Plasticity in the Eight-Helix Fold of A Trematode Hemoglobin (pdb code 1kfr). 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 Structural Plasticity in the Eight-Helix Fold of A Trematode Hemoglobin, PDB code: 1kfr:

Iron binding site 1 out of 1 in the Structural Plasticity in the Eight-Helix Fold of A Trematode Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structural Plasticity in the Eight-Helix Fold of A Trematode Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe148 b:13.2 occ:1.00 FE A:HEM148 0.0 13.2 1.0 NC A:HEM148 2.0 11.1 1.0 ND A:HEM148 2.0 8.6 1.0 NA A:HEM148 2.0 9.3 1.0 NB A:HEM148 2.1 16.1 1.0 NE2 A:HIS98 2.1 11.9 1.0 CE1 A:HIS98 3.0 11.5 1.0 C4C A:HEM148 3.0 9.5 1.0 C4A A:HEM148 3.0 12.7 1.0 C1C A:HEM148 3.0 10.2 1.0 C1D A:HEM148 3.0 8.3 1.0 C4D A:HEM148 3.0 16.2 1.0 C1B A:HEM148 3.1 10.2 1.0 C1A A:HEM148 3.1 23.1 1.0 C4B A:HEM148 3.1 10.4 1.0 CD2 A:HIS98 3.1 12.8 1.0 OH A:TYR32 3.4 16.7 1.0 CHD A:HEM148 3.4 5.6 1.0 CHB A:HEM148 3.4 5.3 1.0 CHC A:HEM148 3.4 12.6 1.0 CHA A:HEM148 3.4 11.6 1.0 ND1 A:HIS98 4.1 19.9 1.0 CG A:HIS98 4.2 32.0 1.0 C3C A:HEM148 4.3 7.0 1.0 C2C A:HEM148 4.3 11.6 1.0 C3A A:HEM148 4.3 11.5 1.0 C3D A:HEM148 4.3 21.4 1.0 C2D A:HEM148 4.3 12.4 1.0 C2A A:HEM148 4.3 22.0 1.0 C2B A:HEM148 4.3 14.3 1.0 C3B A:HEM148 4.3 9.4 1.0 O A:HOH1006 4.4 11.8 1.0 CE1 A:PHE108 4.6 15.3 1.0 CZ A:TYR32 4.6 36.2 1.0

M.Milani, A.Pesce, S.Dewilde, P.Ascenzi, L.Moens, M.Bolognesi. Structural Plasticity in the Eight-Helix Fold of A Trematode Haemoglobin. Acta Crystallogr.,Sect.D V. 58 719 2002.
ISSN: ISSN 0907-4449
PubMed: 11914507
DOI: 10.1107/S0907444902001865