Iron in PDB 7ttl: Stable-5-Lox Elongated HA2 (4 Copies Asu)

All present enzymatic activity of Stable-5-Lox Elongated HA2 (4 Copies Asu):
1.13.11.34;

The structure of Stable-5-Lox Elongated HA2 (4 Copies Asu), PDB code: 7ttl 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)	102.27 / 2.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.791, 204.547, 106.768, 90, 109.03, 90
R / Rfree (%)	21.5 / 27.5

The binding sites of Iron atom in the Stable-5-Lox Elongated HA2 (4 Copies Asu) (pdb code 7ttl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Stable-5-Lox Elongated HA2 (4 Copies Asu), PDB code: 7ttl:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Stable-5-Lox Elongated HA2 (4 Copies Asu)


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 (4 Copies Asu) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:37.4 occ:1.00 HE2 A:HIS367 1.9 42.1 1.0 O A:HOH821 2.0 25.8 1.0 NE2 A:HIS550 2.2 31.1 1.0 NE2 A:HIS372 2.3 41.9 1.0 NE2 A:HIS367 2.6 35.0 1.0 O A:ILE673 2.7 50.9 1.0 CE1 A:HIS550 2.9 31.2 1.0 HE1 A:HIS550 3.0 37.6 1.0 CE1 A:HIS372 3.1 39.1 1.0 HE1 A:HIS372 3.1 47.0 1.0 OD1 A:ASN554 3.1 34.2 1.0 HE1 A:HIS367 3.2 46.3 1.0 CE1 A:HIS367 3.2 38.5 1.0 CD2 A:HIS550 3.3 35.3 1.0 CD2 A:HIS372 3.4 37.9 1.0 C A:ILE673 3.5 48.2 1.0 HB2 A:ASN554 3.5 35.2 1.0 HG13 A:VAL671 3.6 43.1 1.0 HD2 A:HIS550 3.6 42.5 1.0 CG A:ASN554 3.6 30.5 1.0 OXT A:ILE673 3.7 54.5 1.0 CD2 A:HIS367 3.7 35.6 1.0 HD2 A:HIS372 3.7 45.6 1.0 HD2 A:HIS367 4.0 42.9 1.0 ND1 A:HIS550 4.1 26.3 1.0 CB A:ASN554 4.1 29.2 1.0 HG11 A:VAL671 4.2 43.1 1.0 ND1 A:HIS372 4.3 38.5 1.0 HG23 A:ILE673 4.3 47.2 1.0 CG A:HIS550 4.3 27.3 1.0 CG1 A:VAL671 4.3 35.8 1.0 ND1 A:HIS367 4.4 40.1 1.0 H A:ILE673 4.4 55.1 1.0 ND2 A:ASN554 4.5 33.9 1.0 CG A:HIS372 4.5 37.5 1.0 HB3 A:ASN554 4.6 35.2 1.0 HD21 A:ASN554 4.6 40.8 1.0 CG A:HIS367 4.6 38.4 1.0 HG12 A:VAL671 4.7 43.1 1.0 HG22 A:ILE673 4.7 47.2 1.0 CA A:ILE673 4.8 45.3 1.0 HD1 A:HIS550 4.8 31.6 1.0 N A:ILE673 4.9 45.8 1.0 HD13 A:LEU607 4.9 53.3 1.0 CG2 A:ILE673 4.9 39.2 1.0 HG1 A:THR371 5.0 40.4 1.0 HD1 A:HIS372 5.0 46.4 1.0

Iron binding site 2 out of 4 in the Stable-5-Lox Elongated HA2 (4 Copies Asu)


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 (4 Copies Asu) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe701 b:46.7 occ:1.00 NE2 C:HIS367 2.0 57.8 1.0 NE2 C:HIS372 2.0 55.5 1.0 O C:HOH807 2.1 40.4 1.0 NE2 C:HIS550 2.1 49.2 1.0 O C:ILE673 2.3 73.8 1.0 CE1 C:HIS367 2.7 57.3 1.0 HE1 C:HIS367 2.8 68.9 1.0 CE1 C:HIS372 2.9 55.9 1.0 HE1 C:HIS372 3.0 67.2 1.0 CD2 C:HIS372 3.1 51.5 1.0 CD2 C:HIS550 3.1 48.1 1.0 CE1 C:HIS550 3.1 52.9 1.0 CD2 C:HIS367 3.1 49.2 1.0 C C:ILE673 3.1 74.2 1.0 OD1 C:ASN554 3.2 51.9 1.0 OXT C:ILE673 3.2 72.9 1.0 HD2 C:HIS550 3.2 57.0 1.0 HE1 C:HIS550 3.3 63.6 1.0 HD2 C:HIS372 3.3 61.9 1.0 HB2 C:ASN554 3.4 60.4 1.0 HD2 C:HIS367 3.5 59.2 1.0 HG13 C:VAL671 3.6 58.4 1.0 CG C:ASN554 3.6 52.0 1.0 ND1 C:HIS367 3.9 54.2 1.0 ND1 C:HIS372 4.0 49.8 1.0 CB C:ASN554 4.0 50.9 1.0 CG C:HIS367 4.1 49.8 1.0 CG C:HIS372 4.1 49.0 1.0 ND1 C:HIS550 4.2 54.4 1.0 CG C:HIS550 4.2 48.4 1.0 HG23 C:ILE673 4.3 76.6 1.0 H C:ILE673 4.4 80.3 1.0 HG22 C:ILE673 4.4 76.6 1.0 CG1 C:VAL671 4.5 48.5 1.0 HB3 C:ASN554 4.5 60.4 1.0 ND2 C:ASN554 4.5 53.3 1.0 CA C:ILE673 4.6 71.7 1.0 HG11 C:VAL671 4.6 58.4 1.0 HD1 C:HIS367 4.6 65.1 1.0 HG12 C:VAL671 4.7 58.4 1.0 HD21 C:ASN554 4.7 63.3 1.0 HD1 C:HIS372 4.8 59.8 1.0 CG2 C:ILE673 4.8 63.7 1.0 HD22 C:LEU607 4.9 75.6 1.0 N C:ILE673 4.9 66.8 1.0 HD1 C:HIS550 5.0 65.5 1.0

Iron binding site 3 out of 4 in the Stable-5-Lox Elongated HA2 (4 Copies Asu)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Stable-5-Lox Elongated HA2 (4 Copies Asu) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe701 b:51.7 occ:1.00 NE2 D:HIS550 2.2 45.9 1.0 O D:HOH819 2.3 52.6 1.0 NE2 D:HIS372 2.3 47.0 1.0 NE2 D:HIS367 2.3 47.6 1.0 O D:ILE673 2.4 61.0 1.0 CE1 D:HIS550 2.9 44.4 1.0 HE1 D:HIS550 2.9 52.6 1.0 OD1 D:ASN554 3.0 48.9 1.0 CE1 D:HIS367 3.1 49.4 1.0 HE1 D:HIS367 3.1 59.4 1.0 CE1 D:HIS372 3.1 49.4 1.0 HE1 D:HIS372 3.2 59.4 1.0 CD2 D:HIS550 3.3 50.4 1.0 HB2 D:ASN554 3.3 60.1 1.0 CD2 D:HIS372 3.4 50.5 1.0 CD2 D:HIS367 3.4 48.1 1.0 C D:ILE673 3.5 65.5 1.0 CG D:ASN554 3.6 47.7 1.0 HD2 D:HIS372 3.6 60.7 1.0 HD2 D:HIS550 3.6 60.6 1.0 HD2 D:HIS367 3.7 57.8 1.0 OXT D:ILE673 3.8 69.0 1.0 HG13 D:VAL671 3.8 51.8 1.0 CB D:ASN554 3.9 49.9 1.0 ND1 D:HIS550 4.1 43.7 1.0 ND1 D:HIS367 4.2 53.9 1.0 ND1 D:HIS372 4.3 48.6 1.0 CG D:HIS550 4.3 42.9 1.0 H D:ILE673 4.3 71.1 1.0 HG23 D:ILE673 4.4 67.4 1.0 CG D:HIS372 4.4 45.0 1.0 HB3 D:ASN554 4.4 60.1 1.0 CG D:HIS367 4.4 48.9 1.0 ND2 D:ASN554 4.5 46.9 1.0 CG1 D:VAL671 4.7 43.7 1.0 HD21 D:ASN554 4.8 55.6 1.0 CA D:ILE673 4.8 69.2 1.0 HD1 D:HIS550 4.8 51.8 1.0 HG22 D:ILE673 4.8 67.4 1.0 HG11 D:VAL671 4.8 51.8 1.0 N D:ILE673 4.9 59.1 1.0 HG D:LEU607 4.9 74.3 1.0 HD1 D:HIS367 4.9 64.8 1.0

Iron binding site 4 out of 4 in the Stable-5-Lox Elongated HA2 (4 Copies Asu)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Stable-5-Lox Elongated HA2 (4 Copies Asu) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:39.0 occ:1.00 O B:HOH825 2.1 31.9 1.0 NE2 B:HIS550 2.1 27.1 1.0 NE2 B:HIS372 2.2 33.3 1.0 O B:ILE673 2.3 53.7 1.0 NE2 B:HIS367 2.4 34.7 1.0 CD2 B:HIS550 2.9 30.5 1.0 HD2 B:HIS550 3.0 36.7 1.0 CE1 B:HIS372 3.2 36.2 1.0 CE1 B:HIS367 3.2 39.5 1.0 CE1 B:HIS550 3.2 33.4 1.0 CD2 B:HIS372 3.2 34.7 1.0 HE1 B:HIS367 3.2 47.6 1.0 HG13 B:VAL671 3.3 44.3 1.0 HE1 B:HIS372 3.3 43.6 1.0 HB2 B:ASN554 3.3 36.0 1.0 CD2 B:HIS367 3.4 33.6 1.0 HD2 B:HIS372 3.4 41.8 1.0 OD1 B:ASN554 3.4 34.0 1.0 C B:ILE673 3.4 55.0 1.0 HE1 B:HIS550 3.5 40.2 1.0 HD2 B:HIS367 3.7 40.5 1.0 OXT B:ILE673 3.8 58.1 1.0 CG B:ASN554 3.9 32.7 1.0 CB B:ASN554 4.0 29.9 1.0 CG1 B:VAL671 4.0 36.8 1.0 HG11 B:VAL671 4.1 44.3 1.0 CG B:HIS550 4.1 30.7 1.0 ND1 B:HIS550 4.2 31.6 1.0 ND1 B:HIS372 4.3 40.4 1.0 HG23 B:ILE673 4.3 60.0 1.0 HG12 B:VAL671 4.3 44.3 1.0 ND1 B:HIS367 4.3 44.1 1.0 CG B:HIS372 4.3 36.0 1.0 H B:ILE673 4.4 63.0 1.0 HB3 B:ASN554 4.5 36.0 1.0 CG B:HIS367 4.5 38.1 1.0 HG22 B:ILE673 4.7 60.0 1.0 CA B:ILE673 4.8 49.3 1.0 CG2 B:ILE673 4.9 49.9 1.0 ND2 B:ASN554 4.9 38.0 1.0 N B:ILE673 5.0 52.4 1.0 HG23 B:THR371 5.0 41.3 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