Iron in PDB 3fg1: Crystal Structure of DELTA413-417:Gs Lox

All present enzymatic activity of Crystal Structure of DELTA413-417:Gs Lox:
1.13.11.40;

The structure of Crystal Structure of DELTA413-417:Gs Lox, PDB code: 3fg1 was solved by D.B.Neau, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	103.982, 170.224, 104.497, 90.00, 95.88, 90.00
R / Rfree (%)	17.4 / 20.9

The structure of Crystal Structure of DELTA413-417:Gs Lox also contains other interesting chemical elements:

Chlorine	(Cl)	6 atoms
Calcium	(Ca)	8 atoms

The binding sites of Iron atom in the Crystal Structure of DELTA413-417:Gs Lox (pdb code 3fg1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of DELTA413-417:Gs Lox, PDB code: 3fg1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of DELTA413-417:Gs Lox


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 DELTA413-417:Gs Lox within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1500 b:19.8 occ:1.00 O A:HOH195 2.1 20.8 1.0 NE2 A:HIS943 2.2 11.9 1.0 OXT A:ILE1066 2.2 17.2 1.0 NE2 A:HIS762 2.2 16.5 1.0 NE2 A:HIS757 2.3 20.0 1.0 CD2 A:HIS943 3.1 14.5 1.0 C A:ILE1066 3.1 19.0 1.0 CE1 A:HIS762 3.2 21.7 1.0 CE1 A:HIS943 3.2 15.4 1.0 CE1 A:HIS757 3.2 22.1 1.0 CD2 A:HIS762 3.2 19.3 1.0 ND2 A:ASN947 3.3 16.6 1.0 O A:ILE1066 3.3 19.2 1.0 CD2 A:HIS757 3.4 17.3 1.0 CG A:ASN947 3.7 17.9 1.0 CB A:ASN947 4.1 15.4 1.0 OD1 A:ASN947 4.2 19.0 1.0 ND1 A:HIS943 4.3 12.8 1.0 CG A:HIS943 4.3 11.8 1.0 ND1 A:HIS762 4.3 20.2 1.0 CG A:HIS762 4.4 18.4 1.0 ND1 A:HIS757 4.4 19.6 1.0 CG A:HIS757 4.5 17.7 1.0 CA A:ILE1066 4.5 17.8 1.0 CG2 A:THR1064 4.6 14.4 1.0 N A:ILE1066 4.7 17.6 1.0 O A:LEU1000 4.9 18.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of DELTA413-417:Gs Lox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of DELTA413-417:Gs Lox within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1500 b:24.7 occ:1.00 O B:HOH328 2.0 27.5 1.0 NE2 B:HIS943 2.1 19.1 1.0 NE2 B:HIS762 2.1 21.6 1.0 OXT B:ILE1066 2.2 20.3 1.0 NE2 B:HIS757 2.3 25.1 1.0 CE1 B:HIS762 3.0 23.9 1.0 CD2 B:HIS943 3.0 21.1 1.0 CE1 B:HIS757 3.1 26.8 1.0 CE1 B:HIS943 3.2 20.8 1.0 C B:ILE1066 3.2 21.1 1.0 CD2 B:HIS762 3.2 21.5 1.0 ND2 B:ASN947 3.4 22.4 1.0 O B:ILE1066 3.4 21.0 1.0 CD2 B:HIS757 3.5 25.7 1.0 CG B:ASN947 3.6 23.5 1.0 CB B:ASN947 4.1 20.4 1.0 OD1 B:ASN947 4.2 23.5 1.0 ND1 B:HIS762 4.2 22.7 1.0 CG B:HIS943 4.2 19.8 1.0 ND1 B:HIS943 4.2 20.3 1.0 ND1 B:HIS757 4.3 26.7 1.0 CG B:HIS762 4.3 23.0 1.0 CG B:HIS757 4.5 24.3 1.0 CA B:ILE1066 4.6 19.8 1.0 CG2 B:THR1064 4.7 19.9 1.0 N B:ILE1066 4.8 20.1 1.0 O B:HOH2630 4.8 47.9 1.0 O B:LEU1000 4.9 23.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of DELTA413-417:Gs Lox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of DELTA413-417:Gs Lox within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1500 b:20.5 occ:1.00 NE2 C:HIS943 2.1 12.1 1.0 O C:HOH260 2.1 22.3 1.0 OXT C:ILE1066 2.2 17.9 1.0 NE2 C:HIS762 2.2 19.4 1.0 NE2 C:HIS757 2.3 21.4 1.0 CD2 C:HIS943 3.1 15.6 1.0 CE1 C:HIS943 3.1 16.8 1.0 CE1 C:HIS762 3.1 19.3 1.0 C C:ILE1066 3.1 20.0 1.0 CE1 C:HIS757 3.2 23.5 1.0 ND2 C:ASN947 3.3 19.5 1.0 CD2 C:HIS762 3.3 18.1 1.0 O C:ILE1066 3.4 20.1 1.0 CD2 C:HIS757 3.4 20.0 1.0 CG C:ASN947 3.6 18.4 1.0 CB C:ASN947 4.1 15.5 1.0 OD1 C:ASN947 4.2 20.9 1.0 ND1 C:HIS943 4.2 15.1 1.0 CG C:HIS943 4.2 13.7 1.0 ND1 C:HIS762 4.3 18.4 1.0 ND1 C:HIS757 4.4 21.6 1.0 CG C:HIS762 4.4 19.7 1.0 CA C:ILE1066 4.5 19.4 1.0 CG C:HIS757 4.5 20.7 1.0 CG2 C:THR1064 4.6 18.0 1.0 N C:ILE1066 4.8 18.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of DELTA413-417:Gs Lox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of DELTA413-417:Gs Lox within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1500 b:23.1 occ:1.00 O D:HOH1109 2.1 24.6 1.0 NE2 D:HIS762 2.2 21.3 1.0 NE2 D:HIS943 2.2 19.9 1.0 OXT D:ILE1066 2.2 20.0 1.0 NE2 D:HIS757 2.2 19.6 1.0 CE1 D:HIS757 3.0 23.9 1.0 CE1 D:HIS762 3.1 23.9 1.0 C D:ILE1066 3.1 20.4 1.0 CD2 D:HIS943 3.1 16.8 1.0 CE1 D:HIS943 3.2 17.2 1.0 CD2 D:HIS762 3.2 20.7 1.0 ND2 D:ASN947 3.4 19.4 1.0 O D:ILE1066 3.4 21.2 1.0 CD2 D:HIS757 3.4 19.1 1.0 CG D:ASN947 3.6 21.1 1.0 OD1 D:ASN947 4.1 23.5 1.0 CB D:ASN947 4.2 20.4 1.0 ND1 D:HIS757 4.2 23.0 1.0 ND1 D:HIS762 4.2 20.5 1.0 ND1 D:HIS943 4.3 18.4 1.0 CG D:HIS943 4.3 17.4 1.0 CG D:HIS762 4.3 20.3 1.0 CG D:HIS757 4.4 18.9 1.0 CA D:ILE1066 4.5 19.1 1.0 CG2 D:THR1064 4.7 18.8 1.0 N D:ILE1066 4.8 18.8 1.0 O D:LEU1000 4.9 20.7 1.0 OG1 D:THR761 5.0 19.9 1.0

D.B.Neau, N.C.Gilbert, S.G.Bartlett, W.Boeglin, A.R.Brash, M.E.Newcomer. The 1.85 A Structure of An 8R-Lipoxygenase Suggests A General Model For Lipoxygenase Product Specificity. Biochemistry V. 48 7906 2009.
ISSN: ISSN 0006-2960
PubMed: 19594169
DOI: 10.1021/BI900084M