Iron in PDB 3v99: S663D Stable-5-Lox in Complex with Arachidonic Acid

All present enzymatic activity of S663D Stable-5-Lox in Complex with Arachidonic Acid:
1.13.11.34;

The structure of S663D Stable-5-Lox in Complex with Arachidonic Acid, PDB code: 3v99 was solved by N.C.Gilbert, Z.Rui, D.B.Neau, M.Waight, S.G.Bartlett, W.E.Boeglin, A.R.Brash, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.57 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.755, 200.844, 72.184, 90.00, 105.65, 90.00
R / Rfree (%)	18.6 / 23.3

The binding sites of Iron atom in the S663D Stable-5-Lox in Complex with Arachidonic Acid (pdb code 3v99). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the S663D Stable-5-Lox in Complex with Arachidonic Acid, PDB code: 3v99:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the S663D Stable-5-Lox in Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of S663D Stable-5-Lox in Complex with Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:19.1 occ:1.00 NE2 A:HIS550 2.1 11.1 1.0 NE2 A:HIS372 2.2 19.4 1.0 NE2 A:HIS367 2.3 24.8 1.0 O A:HOH922 2.3 27.1 1.0 O A:HOH909 2.5 30.2 1.0 CD2 A:HIS550 3.1 15.6 1.0 CE1 A:HIS372 3.1 15.9 1.0 CE1 A:HIS367 3.1 25.6 1.0 CE1 A:HIS550 3.1 14.7 1.0 CD2 A:HIS372 3.2 17.9 1.0 CD2 A:HIS367 3.4 22.4 1.0 OD1 A:ASN554 3.5 34.5 1.0 O A:HOH931 3.6 42.3 1.0 CG A:ASN554 4.1 33.0 1.0 ND1 A:HIS550 4.2 13.3 1.0 CG A:HIS550 4.2 14.4 1.0 ND1 A:HIS372 4.2 19.8 1.0 H14 A:ACD702 4.3 82.3 1.0 ND1 A:HIS367 4.3 27.2 1.0 O A:VAL671 4.3 47.6 1.0 CG A:HIS372 4.3 20.1 1.0 CG A:HIS367 4.4 21.8 1.0 CB A:ASN554 4.5 26.1 1.0 H12 A:ACD702 4.6 67.6 1.0 C12 A:ACD702 4.7 56.4 1.0 C11 A:ACD702 4.9 50.6 1.0 CB A:VAL671 4.9 30.2 1.0 ND2 A:ASN554 4.9 30.9 1.0

Iron binding site 2 out of 2 in the S663D Stable-5-Lox in Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of S663D Stable-5-Lox in Complex with Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:16.1 occ:1.00 NE2 B:HIS550 2.2 12.2 1.0 NE2 B:HIS372 2.2 15.5 1.0 NE2 B:HIS367 2.2 19.7 1.0 O B:HOH967 2.4 33.0 1.0 O B:ILE673 2.4 52.9 1.0 CE1 B:HIS367 3.0 25.8 1.0 CD2 B:HIS550 3.0 11.8 1.0 CD2 B:HIS372 3.1 14.1 1.0 CE1 B:HIS372 3.2 19.3 1.0 OD1 B:ASN554 3.2 26.6 1.0 CE1 B:HIS550 3.2 14.7 1.0 CD2 B:HIS367 3.3 18.5 1.0 C B:ILE673 3.4 50.3 1.0 OXT B:ILE673 3.5 49.4 1.0 CG B:ASN554 3.8 22.3 1.0 ND1 B:HIS367 4.2 28.1 1.0 CB B:ASN554 4.2 18.7 1.0 CG B:HIS550 4.2 11.7 1.0 ND1 B:HIS372 4.3 18.2 1.0 CG B:HIS372 4.3 18.6 1.0 ND1 B:HIS550 4.3 16.0 1.0 CG B:HIS367 4.3 19.7 1.0 CG1 B:VAL671 4.3 24.2 1.0 ND2 B:ASN554 4.7 18.2 1.0 CA B:ILE673 4.8 43.8 1.0 CG2 B:ILE673 5.0 38.6 1.0

N.C.Gilbert, Z.Rui, D.B.Neau, M.T.Waight, S.G.Bartlett, W.E.Boeglin, A.R.Brash, M.E.Newcomer. Conversion of Human 5-Lipoxygenase to A 15-Lipoxygenase By A Point Mutation to Mimic Phosphorylation at Serine-663. Faseb J. V. 26 3222 2012.
ISSN: ISSN 0892-6638
PubMed: 22516296
DOI: 10.1096/FJ.12-205286