Manganese in PDB 4wfo: Manganese-Substituted Soybean Lipoxygenase-1

All present enzymatic activity of Manganese-Substituted Soybean Lipoxygenase-1:
1.13.11.12;

The structure of Manganese-Substituted Soybean Lipoxygenase-1, PDB code: 4wfo was solved by C.A.M.Carr, A.D.Scouras, J.P.Klinman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.69 / 1.14
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.123, 91.497, 90.897, 90.00, 93.88, 90.00
R / Rfree (%)	10.8 / 12.8

The binding sites of Manganese atom in the Manganese-Substituted Soybean Lipoxygenase-1 (pdb code 4wfo). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Manganese-Substituted Soybean Lipoxygenase-1, PDB code: 4wfo:

Manganese binding site 1 out of 1 in the Manganese-Substituted Soybean Lipoxygenase-1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Manganese-Substituted Soybean Lipoxygenase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn901 b:5.7 occ:0.92 O A:HOH1308 2.2 9.3 1.0 OXT A:ILE839 2.2 6.9 1.0 NE2 A:HIS690 2.2 6.1 1.0 OD1 A:ASN694 2.2 7.4 1.0 NE2 A:HIS499 2.3 7.0 1.0 NE2 A:HIS504 2.3 6.2 1.0 CE1 A:HIS499 3.1 8.8 1.0 HE1 A:HIS499 3.1 10.5 1.0 CE1 A:HIS690 3.2 5.6 1.0 C A:ILE839 3.2 6.9 1.0 CE1 A:HIS504 3.2 6.8 1.0 CD2 A:HIS690 3.3 5.6 1.0 CG A:ASN694 3.3 6.1 1.0 CD2 A:HIS504 3.3 6.2 1.0 HE1 A:HIS690 3.3 6.8 1.0 HE1 A:HIS504 3.3 8.1 1.0 CD2 A:HIS499 3.4 6.3 1.0 HB2 A:ASN694 3.4 7.2 1.0 HD2 A:HIS690 3.4 6.7 1.0 HD2 A:HIS504 3.5 7.4 1.0 O A:ILE839 3.5 7.9 1.0 HD2 A:HIS499 3.6 7.6 1.0 HO1 A:EDO908 3.8 15.0 0.6 HG23 A:ILE837 3.8 8.4 1.0 CB A:ASN694 3.9 6.0 1.0 H11 A:EDO908 4.1 19.2 0.6 HG23 A:ILE839 4.1 10.8 1.0 H A:ILE839 4.2 8.1 1.0 O A:HOH1898 4.2 37.7 0.7 ND1 A:HIS499 4.3 9.1 1.0 ND2 A:ASN694 4.3 6.4 1.0 HE22 A:GLN697 4.3 11.4 1.0 ND1 A:HIS690 4.3 5.8 1.0 ND1 A:HIS504 4.4 7.0 1.0 HD21 A:ASN694 4.4 7.7 1.0 CG A:HIS690 4.4 5.8 1.0 O1 A:EDO908 4.4 12.5 0.6 CG A:HIS499 4.5 7.3 1.0 CG A:HIS504 4.5 6.3 1.0 HB3 A:ASN694 4.5 7.2 1.0 CA A:ILE839 4.6 7.2 1.0 CG2 A:ILE837 4.7 7.0 1.0 HA A:ASN694 4.7 8.0 1.0 HB3 A:LEU754 4.7 11.3 1.0 HG22 A:ILE837 4.8 8.4 1.0 C1 A:EDO908 4.8 16.0 0.6 N A:ILE839 4.8 6.7 1.0 CG2 A:ILE839 4.9 9.0 1.0 NE2 A:GLN697 4.9 9.5 1.0 HG22 A:ILE839 4.9 10.8 1.0 O A:HOH1748 5.0 12.4 0.6 CA A:ASN694 5.0 6.6 1.0 HG21 A:ILE837 5.0 8.4 1.0

C.A.M.Carr, M.Horitani, A.R.Offenbacher, M.W.Knitz, J.P.Klinman, B.M.Hoffman. Direct Detection of Active-Site Geometries in Soybean Lipoxygenase-1 By Endor To Be Published.