Iron in PDB 3fg4: Crystal Structure of DELTA413-417:Gs I805A Lox

All present enzymatic activity of Crystal Structure of DELTA413-417:Gs I805A Lox:
1.13.11.40;

The structure of Crystal Structure of DELTA413-417:Gs I805A Lox, PDB code: 3fg4 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)	30.03 / 2.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	104.361, 170.382, 104.900, 90.00, 95.51, 90.00
R / Rfree (%)	16.8 / 23.9

The structure of Crystal Structure of DELTA413-417:Gs I805A Lox also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Calcium	(Ca)	8 atoms

The binding sites of Iron atom in the Crystal Structure of DELTA413-417:Gs I805A Lox (pdb code 3fg4). 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 I805A Lox, PDB code: 3fg4:
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 I805A 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 I805A Lox within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1500 b:20.2 occ:1.00 NE2 A:HIS943 2.0 14.5 1.0 NE2 A:HIS762 2.0 18.0 1.0 O A:HOH315 2.0 22.0 1.0 NE2 A:HIS757 2.1 19.2 1.0 OXT A:ILE1066 2.1 19.0 1.0 CE1 A:HIS762 2.9 17.7 1.0 CE1 A:HIS757 2.9 19.7 1.0 CD2 A:HIS943 2.9 14.7 1.0 CE1 A:HIS943 3.0 12.9 1.0 CD2 A:HIS762 3.1 15.0 1.0 C A:ILE1066 3.2 18.1 1.0 CD2 A:HIS757 3.2 16.1 1.0 ND2 A:ASN947 3.3 21.5 1.0 O A:ILE1066 3.5 17.6 1.0 CG A:ASN947 3.8 19.2 1.0 ND1 A:HIS762 4.0 17.7 1.0 ND1 A:HIS757 4.1 17.6 1.0 CG A:HIS943 4.1 10.9 1.0 ND1 A:HIS943 4.1 10.0 1.0 CB A:ASN947 4.1 16.3 1.0 CG A:HIS762 4.2 17.6 1.0 CG A:HIS757 4.3 15.6 1.0 OD1 A:ASN947 4.4 22.4 1.0 CA A:ILE1066 4.5 18.1 1.0 CG2 A:THR1064 4.7 13.0 1.0 N A:ILE1066 4.7 17.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of DELTA413-417:Gs I805A 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 I805A Lox within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1500 b:29.3 occ:1.00 NE2 B:HIS943 1.9 21.7 1.0 NE2 B:HIS762 2.0 29.6 1.0 NE2 B:HIS757 2.0 36.9 1.0 O B:HOH361 2.0 33.9 1.0 OXT B:ILE1066 2.1 22.7 1.0 CE1 B:HIS757 2.8 27.6 1.0 CD2 B:HIS943 2.9 21.2 1.0 CD2 B:HIS762 2.9 21.9 1.0 CE1 B:HIS943 3.0 20.3 1.0 CE1 B:HIS762 3.0 21.0 1.0 CD2 B:HIS757 3.1 25.2 1.0 C B:ILE1066 3.2 20.6 1.0 ND2 B:ASN947 3.2 28.3 1.0 O B:ILE1066 3.4 15.4 1.0 CG B:ASN947 3.6 24.3 1.0 ND1 B:HIS757 4.0 27.8 1.0 CG B:HIS943 4.1 25.3 1.0 ND1 B:HIS943 4.1 21.6 1.0 ND1 B:HIS762 4.1 19.6 1.0 CG B:HIS762 4.1 24.6 1.0 CB B:ASN947 4.2 18.2 1.0 OD1 B:ASN947 4.2 26.2 1.0 CG B:HIS757 4.2 26.3 1.0 CA B:ILE1066 4.6 15.4 1.0 CG2 B:THR1064 4.6 18.8 1.0 N B:ILE1066 4.9 18.2 1.0 OG1 B:THR761 5.0 23.7 1.0

Iron binding site 3 out of 4 in the Crystal Structure of DELTA413-417:Gs I805A 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 I805A Lox within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1500 b:19.6 occ:1.00 NE2 C:HIS943 1.9 11.8 1.0 NE2 C:HIS762 2.0 22.4 1.0 O C:HOH1099 2.0 23.9 1.0 NE2 C:HIS757 2.1 20.9 1.0 OXT C:ILE1066 2.1 20.2 1.0 CE1 C:HIS762 2.8 19.0 1.0 CD2 C:HIS943 2.9 17.6 1.0 CE1 C:HIS757 2.9 29.6 1.0 CE1 C:HIS943 3.0 18.8 1.0 CD2 C:HIS762 3.1 18.8 1.0 C C:ILE1066 3.2 17.6 1.0 CD2 C:HIS757 3.2 18.7 1.0 ND2 C:ASN947 3.3 24.4 1.0 O C:ILE1066 3.4 20.4 1.0 CG C:ASN947 3.6 19.9 1.0 ND1 C:HIS762 4.0 19.2 1.0 ND1 C:HIS943 4.1 15.8 1.0 CG C:HIS943 4.1 13.7 1.0 ND1 C:HIS757 4.1 22.9 1.0 OD1 C:ASN947 4.1 22.2 1.0 CB C:ASN947 4.2 10.2 1.0 CG C:HIS762 4.2 28.5 1.0 CG C:HIS757 4.3 23.1 1.0 CA C:ILE1066 4.6 20.3 1.0 CG2 C:THR1064 4.7 19.1 1.0 N C:ILE1066 4.8 17.1 1.0 CG2 C:ILE1066 5.0 19.9 1.0 OG1 C:THR761 5.0 17.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of DELTA413-417:Gs I805A 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 I805A Lox within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1500 b:25.9 occ:1.00 NE2 D:HIS943 2.0 16.3 1.0 NE2 D:HIS762 2.0 26.2 1.0 O D:HOH1078 2.0 24.0 1.0 NE2 D:HIS757 2.0 20.6 1.0 OXT D:ILE1066 2.1 19.5 1.0 CE1 D:HIS757 2.8 26.5 1.0 CD2 D:HIS943 2.9 14.1 1.0 CE1 D:HIS762 3.0 18.6 1.0 CD2 D:HIS762 3.0 20.4 1.0 CE1 D:HIS943 3.1 15.5 1.0 C D:ILE1066 3.1 25.4 1.0 CD2 D:HIS757 3.2 19.1 1.0 ND2 D:ASN947 3.3 18.8 1.0 O D:ILE1066 3.4 16.8 1.0 CG D:ASN947 3.7 24.6 1.0 ND1 D:HIS757 4.0 25.7 1.0 CG D:HIS943 4.1 14.7 1.0 ND1 D:HIS762 4.1 20.7 1.0 ND1 D:HIS943 4.1 12.2 1.0 CG D:HIS762 4.2 25.9 1.0 CB D:ASN947 4.2 20.3 1.0 CG D:HIS757 4.2 25.2 1.0 OD1 D:ASN947 4.3 29.8 1.0 CG2 D:THR1064 4.5 17.1 1.0 CA D:ILE1066 4.6 16.0 1.0 C20 D:ACD2001 4.8 28.9 1.0 N D:ILE1066 4.8 19.9 1.0 OG1 D:THR761 4.9 22.2 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