Iron in PDB 1bin: Leghemoglobin A (Acetomet)

The structure of Leghemoglobin A (Acetomet), PDB code: 1bin was solved by E.A.Brucker, M.S.Hargrove, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.980, 53.390, 141.730, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 29.7

The binding sites of Iron atom in the Leghemoglobin A (Acetomet) (pdb code 1bin). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Leghemoglobin A (Acetomet), PDB code: 1bin:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Leghemoglobin A (Acetomet)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Leghemoglobin A (Acetomet) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe144 b:12.6 occ:1.00 FE A:HEM144 0.0 12.6 1.0 NB A:HEM144 1.9 12.0 1.0 NA A:HEM144 2.0 13.7 1.0 NC A:HEM144 2.0 12.7 1.0 ND A:HEM144 2.1 14.0 1.0 O A:ACT145 2.2 10.3 1.0 NE2 A:HIS92 2.4 16.0 1.0 C4B A:HEM144 3.0 12.1 1.0 C4C A:HEM144 3.0 13.3 1.0 C1B A:HEM144 3.0 12.0 1.0 C1A A:HEM144 3.0 13.8 1.0 C4A A:HEM144 3.0 13.5 1.0 C1C A:HEM144 3.1 12.5 1.0 C1D A:HEM144 3.1 14.4 1.0 C4D A:HEM144 3.1 14.3 1.0 C A:ACT145 3.2 9.9 1.0 CD2 A:HIS92 3.3 16.4 1.0 CE1 A:HIS92 3.3 16.1 1.0 CHD A:HEM144 3.3 13.9 1.0 CHB A:HEM144 3.4 12.5 1.0 CHC A:HEM144 3.4 12.2 1.0 CHA A:HEM144 3.4 14.1 1.0 CH3 A:ACT145 3.7 9.7 1.0 C2A A:HEM144 4.2 13.9 1.0 C2B A:HEM144 4.2 12.0 1.0 C3A A:HEM144 4.2 13.9 1.0 C3B A:HEM144 4.2 12.1 1.0 OXT A:ACT145 4.3 9.6 1.0 C3C A:HEM144 4.3 12.7 1.0 C2C A:HEM144 4.3 12.3 1.0 C2D A:HEM144 4.4 14.7 1.0 C3D A:HEM144 4.4 15.2 1.0 ND1 A:HIS92 4.4 16.5 1.0 CG A:HIS92 4.5 16.8 1.0 NE2 A:HIS61 4.6 11.4 1.0 CD1 A:LEU65 4.8 4.4 1.0 CE1 A:HIS61 4.9 11.4 1.0 CE2 A:PHE44 5.0 24.7 1.0

Iron binding site 2 out of 2 in the Leghemoglobin A (Acetomet)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Leghemoglobin A (Acetomet) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe144 b:8.3 occ:1.00 FE B:HEM144 0.0 8.3 1.0 O B:ACT145 1.9 6.8 1.0 NC B:HEM144 2.0 8.3 1.0 ND B:HEM144 2.0 9.0 1.0 NA B:HEM144 2.0 9.7 1.0 NB B:HEM144 2.1 7.8 1.0 NE2 B:HIS92 2.2 7.7 1.0 C1C B:HEM144 3.0 8.0 1.0 C4B B:HEM144 3.0 8.0 1.0 C1A B:HEM144 3.0 10.2 1.0 C4D B:HEM144 3.0 9.7 1.0 C1D B:HEM144 3.0 9.2 1.0 C4C B:HEM144 3.1 8.8 1.0 C B:ACT145 3.1 6.7 1.0 CE1 B:HIS92 3.1 7.4 1.0 C4A B:HEM144 3.1 9.7 1.0 C1B B:HEM144 3.2 8.1 1.0 CD2 B:HIS92 3.2 7.4 1.0 CHC B:HEM144 3.2 7.8 1.0 CHA B:HEM144 3.4 9.9 1.0 CHD B:HEM144 3.4 8.8 1.0 CHB B:HEM144 3.6 9.1 1.0 CH3 B:ACT145 3.8 6.7 1.0 OXT B:ACT145 4.1 7.3 1.0 C2A B:HEM144 4.2 10.9 1.0 ND1 B:HIS92 4.3 7.4 1.0 C2D B:HEM144 4.3 9.7 1.0 C3A B:HEM144 4.3 10.4 1.0 C2C B:HEM144 4.3 8.3 1.0 C3B B:HEM144 4.3 7.4 1.0 CG B:HIS92 4.3 8.4 1.0 C3D B:HEM144 4.4 10.0 1.0 C3C B:HEM144 4.4 8.5 1.0 C2B B:HEM144 4.4 8.0 1.0 NE2 B:HIS61 4.5 12.2 1.0 CD1 B:LEU65 4.8 6.9 1.0 CE1 B:PHE44 5.0 16.7 1.0

M.S.Hargrove, J.K.Barry, E.A.Brucker, M.B.Berry, G.N.Phillips Jr., J.S.Olson, R.Arredondo-Peter, J.M.Dean, R.V.Klucas, G.Sarath. Characterization of Recombinant Soybean Leghemoglobin A and Apolar Distal Histidine Mutants. J.Mol.Biol. V. 266 1032 1997.
ISSN: ISSN 0022-2836
PubMed: 9086279
DOI: 10.1006/JMBI.1996.0833