Iron in PDB 3vf1: Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For Ca-Regulation

The structure of Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For Ca-Regulation, PDB code: 3vf1 was solved by P.Eek, R.Jarving, I.Jarving, N.C.Gilbert, M.E.Newcomer, N.Samel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.48 / 2.47
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.800, 148.710, 117.330, 90.00, 119.16, 90.00
R / Rfree (%)	20.2 / 22.8

The binding sites of Iron atom in the Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For Ca-Regulation (pdb code 3vf1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For Ca-Regulation, PDB code: 3vf1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For Ca-Regulation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For Ca-Regulation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:40.1 occ:1.00 NE2 A:HIS378 2.2 31.6 1.0 NE2 A:HIS556 2.2 28.8 1.0 OD1 A:ASN560 2.3 44.4 1.0 NE2 A:HIS373 2.3 34.0 1.0 OXT A:ILE679 2.3 43.0 1.0 O A:HOH942 2.3 43.1 1.0 CE1 A:HIS378 3.0 32.6 1.0 CE1 A:HIS373 3.0 35.4 1.0 HE1 A:HIS373 3.0 42.4 1.0 HE1 A:HIS378 3.1 39.1 1.0 CD2 A:HIS556 3.1 31.1 1.0 CE1 A:HIS556 3.2 30.1 1.0 C A:ILE679 3.2 47.6 1.0 HD2 A:HIS556 3.2 37.3 1.0 CD2 A:HIS378 3.3 32.6 1.0 O A:ILE679 3.3 49.5 1.0 CG A:ASN560 3.3 33.8 1.0 HE1 A:HIS556 3.4 36.1 1.0 CD2 A:HIS373 3.4 32.9 1.0 HD2 A:HIS378 3.5 39.1 1.0 HD2 A:HIS373 3.7 39.5 1.0 HG23 A:ILE677 3.8 40.1 1.0 HB2 A:ASN560 3.9 34.1 1.0 HG23 A:ILE679 4.1 48.4 1.0 HD21 A:ASN560 4.1 38.0 1.0 ND2 A:ASN560 4.2 31.6 1.0 ND1 A:HIS378 4.2 32.7 1.0 CB A:ASN560 4.2 28.4 1.0 ND1 A:HIS373 4.2 34.4 1.0 ND1 A:HIS556 4.3 27.7 1.0 CG A:HIS556 4.3 27.9 1.0 CG A:HIS378 4.3 32.9 1.0 HD22 A:LEU613 4.4 57.1 1.0 CG A:HIS373 4.4 33.4 1.0 H A:ILE679 4.5 54.6 1.0 CG2 A:ILE677 4.6 33.4 1.0 CA A:ILE679 4.6 45.2 1.0 HB3 A:ASN560 4.7 34.1 1.0 HG21 A:ILE677 4.7 40.1 1.0 HG22 A:ILE677 4.8 40.1 1.0 CG2 A:ILE679 4.9 40.3 1.0 HG22 A:ILE679 4.9 48.4 1.0 HD1 A:HIS378 4.9 39.3 1.0 HD22 A:ASN560 4.9 38.0 1.0 HB3 A:LEU613 4.9 47.2 1.0 HD1 A:HIS373 4.9 41.3 1.0 N A:ILE679 5.0 45.5 1.0

Iron binding site 2 out of 2 in the Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For Ca-Regulation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For Ca-Regulation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:32.4 occ:1.00 NE2 B:HIS378 2.2 31.6 1.0 OD1 B:ASN560 2.2 45.0 1.0 NE2 B:HIS556 2.2 30.7 1.0 OXT B:ILE679 2.3 44.8 1.0 NE2 B:HIS373 2.3 34.0 1.0 HE1 B:HIS373 3.0 41.5 1.0 CE1 B:HIS373 3.0 34.6 1.0 CE1 B:HIS378 3.0 30.5 1.0 HE1 B:HIS378 3.1 36.6 1.0 C B:ILE679 3.1 47.4 1.0 O B:ILE679 3.2 50.0 1.0 CD2 B:HIS556 3.2 31.0 1.0 CE1 B:HIS556 3.2 28.7 1.0 CG B:ASN560 3.3 34.5 1.0 CD2 B:HIS378 3.3 31.9 1.0 HD2 B:HIS556 3.4 37.2 1.0 HE1 B:HIS556 3.4 34.4 1.0 CD2 B:HIS373 3.5 31.9 1.0 HD2 B:HIS378 3.6 38.3 1.0 HD2 B:HIS373 3.8 38.3 1.0 HG23 B:ILE677 3.8 40.5 1.0 HB2 B:ASN560 3.9 33.0 1.0 HG23 B:ILE679 4.1 48.8 1.0 HD22 B:ASN560 4.1 37.7 1.0 ND2 B:ASN560 4.1 31.4 1.0 ND1 B:HIS378 4.2 31.1 1.0 ND1 B:HIS373 4.2 33.2 1.0 CB B:ASN560 4.2 27.5 1.0 HD22 B:LEU613 4.3 57.2 1.0 ND1 B:HIS556 4.3 26.7 1.0 CG B:HIS556 4.4 27.8 1.0 CG B:HIS378 4.4 31.7 1.0 H B:ILE679 4.5 56.2 1.0 CG B:HIS373 4.5 32.4 1.0 CA B:ILE679 4.6 45.4 1.0 CG2 B:ILE677 4.7 33.8 1.0 HB3 B:ASN560 4.7 33.0 1.0 HG21 B:ILE677 4.8 40.5 1.0 HB3 B:LEU613 4.8 49.1 1.0 HG22 B:ILE677 4.8 40.5 1.0 CG2 B:ILE679 4.8 40.7 1.0 HG22 B:ILE679 4.9 48.8 1.0 HD21 B:ASN560 4.9 37.7 1.0 HD1 B:HIS373 4.9 39.8 1.0 HD1 B:HIS378 4.9 37.4 1.0 N B:ILE679 5.0 46.9 1.0

P.Eek, R.Jarving, I.Jarving, N.C.Gilbert, M.E.Newcomer, N.Samel. Structure of A Calcium-Dependent 11R-Lipoxygenase Suggests A Mechanism For CA2+ Regulation. J.Biol.Chem. V. 287 22377 2012.
ISSN: ISSN 0021-9258
PubMed: 22573333
DOI: 10.1074/JBC.M112.343285