Iron in PDB 5tqn: Lipoxygenase-1 (Soybean) L546A Mutant at 293K

All present enzymatic activity of Lipoxygenase-1 (Soybean) L546A Mutant at 293K:
1.13.11.12;

The structure of Lipoxygenase-1 (Soybean) L546A Mutant at 293K, PDB code: 5tqn 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)	42.97 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.519, 92.656, 100.751, 90.00, 93.47, 90.00
R / Rfree (%)	14.5 / 16.8

The binding sites of Iron atom in the Lipoxygenase-1 (Soybean) L546A Mutant at 293K (pdb code 5tqn). 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 Mutant at 293K, PDB code: 5tqn:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Lipoxygenase-1 (Soybean) L546A 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) L546A Mutant at 293K within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:27.2 occ:1.00 HE1 A:HIS499 1.9 20.9 0.6 NE2 A:HIS504 2.2 18.6 0.6 O A:HOH1028 2.3 35.2 1.0 OXT A:ILE839 2.3 18.5 1.0 NE2 A:HIS690 2.3 12.7 0.9 NE2 A:HIS504 2.4 19.1 0.4 NE2 A:HIS499 2.4 16.3 0.4 CE1 A:HIS499 2.5 17.4 0.6 OD1 A:ASN694 2.6 15.8 0.2 NE2 A:HIS690 2.6 12.8 0.1 NE2 A:HIS499 2.9 17.8 0.6 HE1 A:HIS504 2.9 23.3 0.6 CE1 A:HIS504 2.9 19.4 0.6 HD2 A:HIS504 3.0 21.7 0.4 CD2 A:HIS504 3.1 18.1 0.4 HD2 A:HIS690 3.2 15.1 0.1 C A:ILE839 3.2 20.1 1.0 CD2 A:HIS690 3.3 12.6 0.1 CD2 A:HIS690 3.3 13.0 0.9 OD1 A:ASN694 3.3 17.8 0.8 CD2 A:HIS499 3.3 17.7 0.4 CE1 A:HIS690 3.3 13.3 0.9 CE1 A:HIS499 3.4 17.6 0.4 HD2 A:HIS690 3.4 15.6 0.9 O A:ILE839 3.4 21.0 1.0 CD2 A:HIS504 3.4 17.3 0.6 HD2 A:HIS499 3.4 21.3 0.4 CE1 A:HIS504 3.5 19.8 0.4 HE1 A:HIS690 3.5 16.0 0.9 HE1 A:HIS499 3.5 21.1 0.4 HG23 A:ILE837 3.6 18.6 1.0 ND1 A:HIS499 3.6 19.4 0.6 CG A:ASN694 3.7 15.2 0.2 HD2 A:HIS504 3.7 20.8 0.6 CE1 A:HIS690 3.8 13.3 0.1 HE1 A:HIS504 3.8 23.8 0.4 CG A:ASN694 3.8 15.2 0.8 HB2 A:ASN694 3.8 17.9 0.8 HB2 A:ASN694 3.9 17.3 0.2 HE1 A:HIS690 4.1 16.0 0.1 CD2 A:HIS499 4.1 17.4 0.6 ND1 A:HIS504 4.1 19.3 0.6 H A:ILE839 4.3 21.2 1.0 CG A:HIS504 4.3 17.2 0.4 HG23 A:ILE839 4.3 28.8 1.0 HD23 A:LEU754 4.3 19.5 0.3 CB A:ASN694 4.4 14.4 0.2 CB A:ASN694 4.4 14.9 0.8 CG2 A:ILE837 4.4 15.5 1.0 CG A:HIS504 4.4 17.1 0.6 HG22 A:ILE837 4.4 18.6 1.0 CG A:HIS690 4.4 12.3 0.9 ND1 A:HIS690 4.4 13.1 0.9 ND1 A:HIS499 4.5 16.9 0.4 CG A:HIS499 4.5 17.6 0.4 ND1 A:HIS504 4.5 19.0 0.4 ND2 A:ASN694 4.5 15.1 0.8 CG A:HIS499 4.5 17.8 0.6 CG A:HIS690 4.5 12.4 0.1 HG A:LEU754 4.5 23.7 0.3 HD21 A:ASN694 4.6 18.2 0.8 HG21 A:ILE837 4.6 18.6 1.0 CA A:ILE839 4.6 18.5 1.0 ND2 A:ASN694 4.7 14.9 0.2 HD21 A:ASN694 4.7 17.9 0.2 HD22 A:LEU754 4.7 27.2 0.7 ND1 A:HIS690 4.7 13.0 0.1 HD21 A:LEU754 4.8 19.5 0.3 HD2 A:HIS499 4.8 20.9 0.6 N A:ILE839 4.9 17.7 1.0 HB3 A:ASN694 4.9 17.9 0.8 CD2 A:LEU754 4.9 16.2 0.3 OG1 A:THR503 4.9 13.0 0.6 HD13 A:LEU754 4.9 24.8 0.7 HB3 A:LEU754 5.0 21.1 0.7

Iron binding site 2 out of 2 in the Lipoxygenase-1 (Soybean) L546A 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) L546A Mutant at 293K within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:27.1 occ:1.00 HE1 B:HIS499 2.1 34.5 0.3 O B:HOH1069 2.2 28.8 1.0 NE2 B:HIS504 2.3 14.7 0.3 OXT B:ILE839 2.3 18.8 1.0 NE2 B:HIS504 2.3 15.1 0.7 NE2 B:HIS499 2.3 27.6 0.7 NE2 B:HIS690 2.4 10.8 0.2 NE2 B:HIS690 2.4 10.6 0.8 CE1 B:HIS499 2.7 28.7 0.3 HE1 B:HIS504 2.7 17.8 0.3 CE1 B:HIS504 2.8 14.8 0.3 OD1 B:ASN694 2.9 15.8 0.7 NE2 B:HIS499 3.1 29.2 0.3 CE1 B:HIS690 3.2 11.3 0.2 HE1 B:HIS690 3.2 13.5 0.2 C B:ILE839 3.2 23.3 1.0 CD2 B:HIS690 3.2 12.3 0.8 CD2 B:HIS504 3.2 14.2 0.7 CE1 B:HIS499 3.3 29.6 0.7 CE1 B:HIS504 3.3 15.5 0.7 HD2 B:HIS690 3.3 14.8 0.8 CD2 B:HIS499 3.3 27.9 0.7 O B:ILE839 3.4 24.4 1.0 HE1 B:HIS499 3.4 35.5 0.7 HD2 B:HIS504 3.4 17.0 0.7 CE1 B:HIS690 3.4 11.6 0.8 CD2 B:HIS690 3.4 11.3 0.2 HE1 B:HIS504 3.4 18.6 0.7 HD2 B:HIS499 3.5 33.5 0.7 CD2 B:HIS504 3.5 14.0 0.3 HE1 B:HIS690 3.6 13.9 0.8 HG23 B:ILE837 3.7 18.3 1.0 HD2 B:HIS690 3.7 13.6 0.2 HB2 B:ASN694 3.7 16.8 0.3 CG B:ASN694 3.7 15.1 0.7 ND1 B:HIS499 3.8 27.5 0.3 HB2 B:ASN694 3.9 16.3 0.7 OD1 B:ASN694 3.9 14.6 0.3 HD2 B:HIS504 3.9 16.8 0.3 CG B:ASN694 4.0 14.8 0.3 ND1 B:HIS504 4.1 15.4 0.3 H B:ILE839 4.3 23.2 1.0 HG23 B:ILE839 4.3 29.9 1.0 CB B:ASN694 4.3 14.0 0.3 ND1 B:HIS690 4.3 11.8 0.2 CD2 B:HIS499 4.4 28.3 0.3 ND1 B:HIS504 4.4 16.2 0.7 CB B:ASN694 4.4 13.6 0.7 CG B:HIS504 4.4 14.0 0.7 ND1 B:HIS499 4.4 28.1 0.7 ND2 B:ASN694 4.4 15.7 0.3 CG B:HIS690 4.4 11.8 0.8 CG B:HIS504 4.5 13.9 0.3 CG2 B:ILE837 4.5 15.2 1.0 CG B:HIS499 4.5 24.3 0.7 ND1 B:HIS690 4.5 12.5 0.8 CG B:HIS690 4.5 12.0 0.2 HG22 B:ILE837 4.5 18.3 1.0 ND2 B:ASN694 4.5 16.2 0.7 HD21 B:ASN694 4.6 19.4 0.7 HD21 B:ASN694 4.6 18.8 0.3 CA B:ILE839 4.6 19.7 1.0 CG B:HIS499 4.7 24.5 0.3 HB3 B:ASN694 4.7 16.8 0.3 HG21 B:ILE837 4.7 18.3 1.0 HD13 B:LEU754 4.8 30.1 1.0 HD22 B:ASN694 4.8 18.8 0.3 N B:ILE839 4.8 19.4 1.0 HD22 B:LEU754 4.8 28.9 1.0 HB3 B:LEU754 4.9 21.7 1.0 HB3 B:ASN694 5.0 16.3 0.7

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