Iron in PDB 5tr0: Lipoxygenase-1 (Soybean) L754A Mutant at 293K

All present enzymatic activity of Lipoxygenase-1 (Soybean) L754A Mutant at 293K:
1.13.11.12;

The structure of Lipoxygenase-1 (Soybean) L754A Mutant at 293K, PDB code: 5tr0 was solved by E.M.Poss, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.65 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.452, 92.652, 100.722, 90.00, 93.39, 90.00
R / Rfree (%)	14 / 17

The binding sites of Iron atom in the Lipoxygenase-1 (Soybean) L754A Mutant at 293K (pdb code 5tr0). 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) L754A Mutant at 293K, PDB code: 5tr0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Lipoxygenase-1 (Soybean) L754A Mutant at 293K


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) L754A Mutant at 293K within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:30.2 occ:1.00 HE1 A:HIS499 2.1 23.2 0.4 O A:HOH1022 2.1 23.1 1.0 OXT A:ILE839 2.3 18.7 1.0 NE2 A:HIS504 2.3 20.7 1.0 NE2 A:HIS690 2.4 14.2 1.0 NE2 A:HIS499 2.5 18.7 0.6 CE1 A:HIS499 2.5 19.4 0.4 NE2 A:HIS499 2.7 19.7 0.4 HD2 A:HIS499 3.1 24.4 0.6 C A:ILE839 3.2 21.1 1.0 CD2 A:HIS499 3.2 20.3 0.6 CD2 A:HIS690 3.2 16.6 1.0 O A:ILE839 3.2 24.3 1.0 OD1 A:ASN694 3.2 18.2 1.0 CD2 A:HIS504 3.3 19.0 1.0 HD2 A:HIS690 3.3 20.0 1.0 CE1 A:HIS504 3.3 19.9 1.0 HD2 A:HIS504 3.4 22.8 1.0 CE1 A:HIS690 3.5 15.9 1.0 HE1 A:HIS504 3.5 23.9 1.0 CE1 A:HIS499 3.6 22.1 0.6 ND1 A:HIS499 3.7 21.1 0.4 HG23 A:ILE837 3.7 16.4 1.0 HE1 A:HIS690 3.7 19.0 1.0 CG A:ASN694 3.7 16.3 1.0 HB2 A:ASN694 3.8 17.8 1.0 HE1 A:HIS499 3.9 26.6 0.6 CD2 A:HIS499 3.9 20.2 0.4 HG23 A:ILE839 4.2 30.2 1.0 H A:ILE839 4.3 21.3 1.0 CB A:ASN694 4.3 14.8 1.0 ND2 A:ASN694 4.4 15.7 1.0 CG A:HIS499 4.4 20.4 0.4 CG A:HIS504 4.4 16.5 1.0 ND1 A:HIS504 4.4 18.6 1.0 CG A:HIS499 4.4 19.7 0.6 CG A:HIS690 4.5 14.6 1.0 HD21 A:ASN694 4.5 18.9 1.0 CG2 A:ILE837 4.5 13.6 1.0 ND1 A:HIS690 4.5 14.8 1.0 HD2 A:HIS499 4.6 24.2 0.4 HG22 A:ILE837 4.6 16.4 1.0 CA A:ILE839 4.6 17.9 1.0 ND1 A:HIS499 4.6 22.3 0.6 HG21 A:ILE837 4.7 16.4 1.0 N A:ILE839 4.9 17.7 1.0 HB3 A:ASN694 4.9 17.8 1.0 HB1 A:ALA754 4.9 23.5 1.0 OG1 A:THR503 4.9 13.1 0.6 HD22 A:ASN694 5.0 18.9 1.0

Iron binding site 2 out of 2 in the Lipoxygenase-1 (Soybean) L754A Mutant at 293K


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) L754A Mutant at 293K within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:31.1 occ:1.00 HE1 B:HIS499 1.7 26.9 0.7 O B:HOH1028 2.2 24.3 1.0 NE2 B:HIS504 2.3 21.8 1.0 OXT B:ILE839 2.3 17.9 1.0 NE2 B:HIS690 2.4 11.2 1.0 CE1 B:HIS499 2.4 22.4 0.7 HE1 B:HIS499 2.6 28.5 0.3 NE2 B:HIS499 2.8 24.2 0.3 CE1 B:HIS499 2.9 23.7 0.3 NE2 B:HIS499 2.9 24.9 0.7 C B:ILE839 3.2 25.2 1.0 CE1 B:HIS504 3.2 19.5 1.0 O B:ILE839 3.2 24.7 1.0 OD1 B:ASN694 3.3 21.6 1.0 CD2 B:HIS690 3.3 15.4 1.0 HE1 B:HIS504 3.3 23.4 1.0 CD2 B:HIS504 3.3 17.0 1.0 CE1 B:HIS690 3.4 12.6 1.0 HD2 B:HIS690 3.4 18.5 1.0 HD2 B:HIS504 3.5 20.4 1.0 HE1 B:HIS690 3.5 15.2 1.0 ND1 B:HIS499 3.6 24.8 0.7 HG23 B:ILE837 3.7 17.1 1.0 CG B:ASN694 3.7 16.9 1.0 HB2 B:ASN694 3.8 18.8 1.0 CD2 B:HIS499 3.9 23.8 0.3 ND1 B:HIS499 4.0 23.6 0.3 HG23 B:ILE839 4.2 34.1 1.0 CD2 B:HIS499 4.3 23.4 0.7 H B:ILE839 4.3 22.4 1.0 CB B:ASN694 4.3 15.6 1.0 ND1 B:HIS504 4.4 20.9 1.0 ND2 B:ASN694 4.4 15.2 1.0 CG B:HIS504 4.4 15.6 1.0 HD2 B:HIS499 4.5 28.5 0.3 ND1 B:HIS690 4.5 14.5 1.0 CG B:HIS690 4.5 13.9 1.0 CG2 B:ILE837 4.5 14.2 1.0 HD21 B:ASN694 4.5 18.2 1.0 HG22 B:ILE837 4.5 17.1 1.0 CG B:HIS499 4.5 22.3 0.3 CA B:ILE839 4.6 18.1 1.0 CG B:HIS499 4.6 22.5 0.7 HG21 B:ILE837 4.8 17.1 1.0 N B:ILE839 4.8 18.6 1.0 HB3 B:ASN694 4.9 18.8 1.0 HB1 B:ALA754 4.9 24.1 1.0 HD2 B:HIS499 5.0 28.0 0.7 OG1 B:THR503 5.0 14.7 0.3 CG2 B:ILE839 5.0 28.4 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