Iron in PDB 1rrl: Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution

All present enzymatic activity of Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution:
1.13.11.12;

The structure of Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution, PDB code: 1rrl was solved by O.Y.Borbulevych, J.Jankun, E.Skrzypczak-Jankun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	106.400, 133.500, 60.700, 90.00, 97.30, 90.00
R / Rfree (%)	20.7 / 30.5

The binding sites of Iron atom in the Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution (pdb code 1rrl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution, PDB code: 1rrl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe858 b:28.9 occ:1.00 NE2 A:HIS523 2.1 20.2 1.0 OXT A:ILE857 2.1 21.1 1.0 NE2 A:HIS709 2.2 20.2 1.0 NE2 A:HIS518 2.2 23.5 1.0 O A:HOH960 2.3 24.9 1.0 O A:ILE857 2.8 21.6 1.0 C A:ILE857 2.9 19.6 1.0 CD2 A:HIS523 3.0 21.1 1.0 CE1 A:HIS518 3.0 25.3 1.0 CD2 A:HIS709 3.1 15.9 1.0 CE1 A:HIS709 3.1 13.1 1.0 CE1 A:HIS523 3.2 23.5 1.0 CD2 A:HIS518 3.3 27.6 1.0 OD1 A:ASN713 3.4 17.3 1.0 CG A:ASN713 4.1 16.6 1.0 CG A:HIS523 4.2 20.1 1.0 ND1 A:HIS518 4.2 27.9 1.0 ND1 A:HIS709 4.2 15.7 1.0 ND1 A:HIS523 4.3 18.6 1.0 CG A:HIS709 4.3 19.2 1.0 CG A:HIS518 4.3 27.2 1.0 CA A:ILE857 4.4 19.0 1.0 CB A:ASN713 4.5 17.3 1.0 CG2 A:ILE855 4.7 16.1 1.0 N A:ILE857 4.8 18.3 1.0 ND2 A:ASN713 4.9 19.3 1.0 CG2 A:ILE857 5.0 15.8 1.0

Iron binding site 2 out of 2 in the Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Soybean Lipoxygenase (Lox-3) at 93K at 2.0 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe858 b:31.0 occ:1.00 NE2 B:HIS523 2.1 26.0 1.0 OXT B:ILE857 2.1 23.1 1.0 NE2 B:HIS709 2.2 20.3 1.0 NE2 B:HIS518 2.2 30.3 1.0 CE1 B:HIS518 3.0 32.5 1.0 CD2 B:HIS709 3.0 13.5 1.0 CE1 B:HIS523 3.0 25.5 1.0 CD2 B:HIS523 3.1 25.0 1.0 C B:ILE857 3.1 20.4 1.0 CE1 B:HIS709 3.3 2.5 1.0 CD2 B:HIS518 3.3 27.5 1.0 O B:ILE857 3.3 22.2 1.0 OD1 B:ASN713 3.7 28.5 1.0 CG B:ASN713 3.9 19.0 1.0 ND1 B:HIS523 4.1 26.0 1.0 ND1 B:HIS518 4.2 28.8 1.0 CG B:HIS523 4.2 23.1 1.0 CG B:HIS709 4.2 16.0 1.0 ND2 B:ASN713 4.3 13.9 1.0 ND1 B:HIS709 4.3 5.2 1.0 CB B:ASN713 4.3 18.7 1.0 CG B:HIS518 4.4 26.4 1.0 CG2 B:ILE855 4.5 17.1 1.0 CA B:ILE857 4.5 18.9 1.0 N B:ILE857 4.8 18.6 1.0

E.Skrzypczak-Jankun, O.Y.Borbulevych, M.I.Zavodszky, M.R.Baranski, K.Padmanabhan, V.Petricek, J.Jankun. Effect of Crystal Freezing and Small-Molecule Binding on Internal Cavity Size in A Large Protein: X-Ray and Docking Studies of Lipoxygenase at Ambient and Low Temperature at 2.0 A Resolution. Acta Crystallogr.,Sect.D V. 62 766 2006.
ISSN: ISSN 0907-4449
PubMed: 16790932
DOI: 10.1107/S0907444906016982