Iron in PDB 7ttj: Stable-5-Lox Elongated HA2

All present enzymatic activity of Stable-5-Lox Elongated HA2:
1.13.11.34;

The structure of Stable-5-Lox Elongated HA2, PDB code: 7ttj was solved by N.C.Gilbert, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.25 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.73, 204.574, 74.115, 90, 107.65, 90
R / Rfree (%)	18.4 / 22.4

The binding sites of Iron atom in the Stable-5-Lox Elongated HA2 (pdb code 7ttj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Stable-5-Lox Elongated HA2, PDB code: 7ttj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Stable-5-Lox Elongated HA2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Stable-5-Lox Elongated HA2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:52.7 occ:1.00 NE2 B:HIS550 2.2 36.1 1.0 O B:HOH805 2.2 57.0 1.0 NE2 B:HIS372 2.3 50.6 1.0 NE2 B:HIS367 2.3 47.4 1.0 O B:ILE673 2.5 66.7 1.0 CD2 B:HIS550 3.0 36.3 1.0 CD2 B:HIS372 3.1 44.6 1.0 HD2 B:HIS550 3.1 43.8 1.0 HD2 B:HIS372 3.1 53.8 1.0 CE1 B:HIS367 3.2 52.2 1.0 CE1 B:HIS550 3.2 44.2 1.0 HE1 B:HIS367 3.2 62.9 1.0 CD2 B:HIS367 3.4 45.0 1.0 OD1 B:ASN554 3.4 57.5 1.0 CE1 B:HIS372 3.4 57.0 1.0 HG13 B:VAL671 3.4 70.3 1.0 C B:ILE673 3.5 77.6 1.0 HE1 B:HIS550 3.5 53.2 1.0 HB2 B:ASN554 3.5 57.9 1.0 HD2 B:HIS367 3.6 54.2 1.0 HE1 B:HIS372 3.6 68.7 1.0 OXT B:ILE673 3.7 81.1 1.0 CG B:ASN554 3.9 54.1 1.0 CG1 B:VAL671 4.2 58.4 1.0 CB B:ASN554 4.2 48.1 1.0 CG B:HIS550 4.2 34.5 1.0 HG23 B:ILE673 4.2 100.1 1.0 HG11 B:VAL671 4.3 70.3 1.0 ND1 B:HIS550 4.3 42.6 1.0 CG B:HIS372 4.3 47.2 1.0 HG12 B:VAL671 4.3 70.3 1.0 ND1 B:HIS367 4.3 53.7 1.0 H B:ILE673 4.4 94.4 1.0 ND1 B:HIS372 4.4 52.7 1.0 CG B:HIS367 4.4 46.1 1.0 HB3 B:ASN554 4.6 57.9 1.0 ND2 B:ASN554 4.7 58.3 1.0 HG22 B:ILE673 4.8 100.1 1.0 CA B:ILE673 4.8 87.0 1.0 CG2 B:ILE673 4.9 83.2 1.0 HD21 B:ASN554 5.0 70.3 1.0 N B:ILE673 5.0 78.4 1.0

Iron binding site 2 out of 2 in the Stable-5-Lox Elongated HA2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Stable-5-Lox Elongated HA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:43.0 occ:1.00 NE2 A:HIS550 2.2 35.0 1.0 NE2 A:HIS372 2.3 40.6 1.0 NE2 A:HIS367 2.3 42.0 1.0 O A:ILE673 2.4 55.7 1.0 OD1 A:ASN554 3.0 52.4 1.0 CD2 A:HIS550 3.1 36.6 1.0 CE1 A:HIS367 3.2 48.1 1.0 CD2 A:HIS372 3.2 38.8 1.0 CE1 A:HIS550 3.2 36.6 1.0 CE1 A:HIS372 3.2 46.5 1.0 HE1 A:HIS367 3.3 58.0 1.0 HD2 A:HIS550 3.3 44.2 1.0 CD2 A:HIS367 3.3 43.0 1.0 HD2 A:HIS372 3.4 46.8 1.0 HE1 A:HIS372 3.4 56.1 1.0 HE1 A:HIS550 3.4 44.1 1.0 C A:ILE673 3.4 59.4 1.0 HB2 A:ASN554 3.5 53.5 1.0 HD2 A:HIS367 3.5 51.9 1.0 OXT A:ILE673 3.7 52.3 1.0 CG A:ASN554 3.7 48.7 1.0 CB A:ASN554 4.1 44.4 1.0 HG23 A:ILE673 4.1 60.2 1.0 HG13 A:VAL671 4.2 50.4 1.0 CG A:HIS550 4.3 32.8 1.0 ND1 A:HIS367 4.3 53.0 1.0 ND1 A:HIS550 4.3 34.2 1.0 ND1 A:HIS372 4.3 48.6 1.0 CG A:HIS372 4.4 44.9 1.0 H A:ILE673 4.4 61.8 1.0 HG12 A:VAL671 4.4 50.4 1.0 CG A:HIS367 4.4 43.5 1.0 HG22 A:ILE673 4.6 60.2 1.0 HB3 A:ASN554 4.6 53.5 1.0 ND2 A:ASN554 4.7 42.7 1.0 CG1 A:VAL671 4.7 41.8 1.0 CA A:ILE673 4.8 57.4 1.0 CG2 A:ILE673 4.8 50.0 1.0 HD21 A:ASN554 4.9 51.5 1.0 N A:ILE673 5.0 51.3 1.0

E.M.Gallegos, T.D.Reed, F.A.Mathes, N.V.Guevara, D.B.Neau, W.Huang, M.E.Newcomer, N.C.Gilbert. Helical Remodeling Augments 5-Lipoxygenase Activity in the Synthesis of Proinflammatory Mediators. J.Biol.Chem. V. 298 02282 2022.
ISSN: ESSN 1083-351X
PubMed: 35863431
DOI: 10.1016/J.JBC.2022.102282