Iron in PDB 5tqo: Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K

All present enzymatic activity of Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K:
1.13.11.12;

The structure of Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K, PDB code: 5tqo was solved by E.M.Poss, J.S.Fraser, C.Gee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.34 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.610, 92.809, 101.267, 90.00, 94.11, 90.00
R / Rfree (%)	14.1 / 16.3

The binding sites of Iron atom in the Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K (pdb code 5tqo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K, PDB code: 5tqo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:15.6 occ:0.86 HE1 A:HIS499 1.6 19.1 0.5 O A:HOH1031 2.1 21.4 1.0 NE2 A:HIS504 2.1 13.4 0.3 OXT A:ILE839 2.2 14.5 0.4 NE2 A:HIS690 2.2 10.3 0.2 NE2 A:HIS504 2.3 13.5 0.7 NE2 A:HIS499 2.3 16.2 0.6 OXT A:ILE839 2.3 14.7 0.6 NE2 A:HIS690 2.3 10.6 0.8 CE1 A:HIS499 2.4 15.9 0.5 OD1 A:ASN694 2.7 13.5 0.3 CE1 A:HIS504 2.9 12.7 0.3 NE2 A:HIS499 2.9 15.6 0.5 HE1 A:HIS504 3.0 15.2 0.3 C A:ILE839 3.0 14.9 0.4 O A:ILE839 3.1 15.3 0.4 CE1 A:HIS499 3.2 15.7 0.6 CE1 A:HIS690 3.2 10.2 0.2 CD2 A:HIS504 3.2 12.7 0.7 CD2 A:HIS690 3.2 10.4 0.8 CD2 A:HIS690 3.2 9.8 0.2 HE1 A:HIS499 3.3 18.8 0.6 CE1 A:HIS504 3.3 12.9 0.7 CD2 A:HIS504 3.3 12.2 0.3 C A:ILE839 3.3 15.2 0.6 CE1 A:HIS690 3.3 10.4 0.8 HE1 A:HIS690 3.3 12.3 0.2 CD2 A:HIS499 3.3 16.2 0.6 HD2 A:HIS504 3.3 15.3 0.7 HD2 A:HIS690 3.3 12.5 0.8 HD2 A:HIS690 3.4 11.8 0.2 HE1 A:HIS504 3.4 15.4 0.7 HE1 A:HIS690 3.5 12.5 0.8 OD1 A:ASN694 3.5 14.2 0.7 O A:ILE839 3.5 15.5 0.6 HD2 A:HIS504 3.5 14.6 0.3 HD2 A:HIS499 3.5 19.5 0.6 ND1 A:HIS499 3.5 16.6 0.5 CG A:ASN694 3.6 12.4 0.3 HG23 A:ILE837 3.7 15.2 1.0 HB2 A:ASN694 3.7 14.2 0.7 CG A:ASN694 3.8 12.6 0.7 HB2 A:ASN694 3.8 14.0 0.3 HG23 A:ILE839 4.0 18.9 0.4 ND1 A:HIS504 4.1 12.8 0.3 H A:ILE839 4.2 16.6 0.6 H A:ILE839 4.2 16.6 0.4 CD2 A:HIS499 4.3 15.1 0.5 CB A:ASN694 4.3 11.8 0.7 ND1 A:HIS690 4.3 10.3 0.2 CG A:HIS504 4.3 11.6 0.3 ND1 A:HIS499 4.3 15.2 0.6 CB A:ASN694 4.3 11.7 0.3 ND1 A:HIS504 4.4 12.3 0.7 HG23 A:ILE839 4.4 19.3 0.6 CG A:HIS504 4.4 11.7 0.7 ND2 A:ASN694 4.4 12.3 0.7 CG A:HIS690 4.4 9.9 0.2 CG A:HIS690 4.4 9.9 0.8 ND1 A:HIS690 4.4 11.0 0.8 CG A:HIS499 4.4 15.1 0.6 CG2 A:ILE837 4.5 12.7 1.0 CA A:ILE839 4.5 14.6 0.4 HD21 A:ASN694 4.5 14.8 0.7 HG22 A:ILE837 4.5 15.2 1.0 CG A:HIS499 4.5 14.7 0.5 ND2 A:ASN694 4.6 12.3 0.3 HD21 A:ASN694 4.6 14.7 0.3 CA A:ILE839 4.6 14.6 0.6 HG21 A:ILE837 4.7 15.2 1.0 N A:ILE839 4.8 13.8 0.4 N A:ILE839 4.8 13.8 0.6 HB3 A:ASN694 4.8 14.2 0.7 CG2 A:ILE839 4.8 15.7 0.4 HB3 A:ASN694 4.9 14.0 0.3 HD22 A:ASN694 4.9 14.8 0.7 HB1 A:ALA754 4.9 18.5 1.0 HG13 A:ILE839 4.9 19.9 0.4 HG22 A:ILE839 5.0 18.9 0.4 O A:HOH1458 5.0 48.7 1.0

Iron binding site 2 out of 2 in the Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Lipoxygenase-1 (Soybean) L546A/L754A Mutant at 300K within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:13.8 occ:0.80 O B:HOH1036 2.1 21.4 1.0 NE2 B:HIS504 2.1 13.8 0.1 NE2 B:HIS690 2.1 9.9 0.5 OXT B:ILE839 2.2 13.8 0.6 NE2 B:HIS504 2.2 14.3 0.9 OXT B:ILE839 2.3 13.7 0.4 NE2 B:HIS499 2.3 22.3 1.0 NE2 B:HIS690 2.4 10.1 0.5 OD1 B:ASN694 2.5 12.6 0.3 CE1 B:HIS504 2.8 13.6 0.1 HE1 B:HIS504 2.9 16.3 0.1 HE1 B:HIS499 3.0 30.6 1.0 CE1 B:HIS499 3.0 25.5 1.0 CE1 B:HIS690 3.0 10.2 0.5 C B:ILE839 3.1 14.4 0.4 HE1 B:HIS690 3.2 12.2 0.5 CD2 B:HIS690 3.2 10.0 0.5 CE1 B:HIS504 3.2 13.8 0.9 CD2 B:HIS504 3.2 13.7 0.9 C B:ILE839 3.2 14.8 0.6 CD2 B:HIS690 3.3 10.6 0.5 CD2 B:HIS504 3.3 13.5 0.1 O B:ILE839 3.3 15.9 0.4 HD2 B:HIS690 3.3 12.7 0.5 HD2 B:HIS504 3.4 16.4 0.9 HE1 B:HIS504 3.4 16.6 0.9 OD1 B:ASN694 3.4 13.1 0.7 HD2 B:HIS690 3.4 11.9 0.5 O B:ILE839 3.4 15.7 0.6 CE1 B:HIS690 3.5 9.7 0.5 CD2 B:HIS499 3.5 20.8 1.0 CG B:ASN694 3.6 11.9 0.3 HD2 B:HIS504 3.6 16.2 0.1 HE1 B:HIS690 3.7 11.6 0.5 HB2 B:ASN694 3.7 13.8 0.7 HG23 B:ILE837 3.7 17.5 1.0 HD2 B:HIS499 3.8 25.0 1.0 CG B:ASN694 3.8 12.0 0.7 HG23 B:ILE839 3.8 19.0 0.4 HB2 B:ASN694 3.9 13.3 0.3 ND1 B:HIS504 4.0 13.6 0.1 ND1 B:HIS690 4.2 10.2 0.5 H B:ILE839 4.2 18.4 0.6 H B:ILE839 4.2 18.4 0.4 ND1 B:HIS499 4.2 22.6 1.0 CG B:HIS504 4.3 12.9 0.1 CB B:ASN694 4.3 11.5 0.7 CG B:HIS690 4.3 9.9 0.5 ND1 B:HIS504 4.3 13.1 0.9 CB B:ASN694 4.3 11.1 0.3 CG B:HIS504 4.4 13.6 0.9 ND2 B:ASN694 4.4 12.2 0.7 CG B:HIS690 4.5 9.9 0.5 CG B:HIS499 4.5 18.2 1.0 HG23 B:ILE839 4.5 19.3 0.6 ND2 B:ASN694 4.5 12.0 0.3 HD21 B:ASN694 4.5 14.4 0.3 CA B:ILE839 4.5 15.1 0.4 HD21 B:ASN694 4.5 14.7 0.7 ND1 B:HIS690 4.5 9.9 0.5 CG2 B:ILE837 4.5 14.6 1.0 HG22 B:ILE837 4.6 17.5 1.0 CA B:ILE839 4.6 15.1 0.6 CG2 B:ILE839 4.7 15.8 0.4 HB3 B:ASN694 4.8 13.8 0.7 N B:ILE839 4.8 15.3 0.4 N B:ILE839 4.8 15.3 0.6 HG21 B:ILE837 4.8 17.5 1.0 HG13 B:ILE839 4.8 19.5 0.4 HG22 B:ILE839 4.8 19.0 0.4 HB3 B:ASN694 4.9 13.3 0.3 HD22 B:ASN694 4.9 14.7 0.7 HB1 B:ALA754 5.0 18.7 1.0

S.Hu, A.R.Offenbacher, E.M.Thompson, C.L.Gee, J.Wilcoxen, C.A.M.Carr, D.M.Prigozhin, V.Yang, T.Alber, R.D.Britt, J.S.Fraser, J.P.Klinman. Biophysical Characterization of A Disabled Double Mutant of Soybean Lipoxygenase: the "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and An Identified Dynamical Network. J.Am.Chem.Soc. V. 141 1555 2019.
ISSN: ESSN 1520-5126
PubMed: 30645119
DOI: 10.1021/JACS.8B10992