Iron in PDB 8ghd: The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid

All present enzymatic activity of The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid:
1.13.11.31; 1.13.11.33;

The binding sites of Iron atom in the The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid (pdb code 8ghd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid, PDB code: 8ghd:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:63.7 occ:1.00 NE2 A:HIS365 2.2 36.7 1.0 OXT A:ILE663 2.2 49.0 1.0 NE2 A:HIS360 2.2 41.3 1.0 NE2 A:HIS540 2.3 28.9 1.0 OD1 A:ASN544 2.8 31.3 1.0 C A:ILE663 2.9 49.6 1.0 O A:ILE663 2.9 46.9 1.0 CE1 A:HIS360 3.0 35.4 1.0 CE1 A:HIS365 3.1 31.8 1.0 CD2 A:HIS540 3.2 22.9 1.0 CD2 A:HIS365 3.2 36.1 1.0 CE1 A:HIS540 3.3 36.3 1.0 CD2 A:HIS360 3.3 29.0 1.0 CG A:ASN544 3.5 38.0 1.0 CB A:ASN544 4.1 32.1 1.0 ND1 A:HIS360 4.2 38.7 1.0 ND1 A:HIS365 4.2 33.3 1.0 ND2 A:ASN544 4.3 43.9 1.0 CG A:HIS365 4.3 28.5 1.0 CG A:HIS360 4.4 29.2 1.0 CG A:HIS540 4.4 29.5 1.0 CA A:ILE663 4.4 50.6 1.0 ND1 A:HIS540 4.4 36.0 1.0 N A:ILE663 4.7 44.9 1.0 C9 A:ACD903 4.8 44.8 1.0 CG1 A:VAL661 4.9 35.8 1.0 C8 A:ACD903 5.0 46.4 1.0

Iron binding site 2 out of 6 in the The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:61.5 occ:1.00 NE2 B:HIS365 2.2 35.2 1.0 NE2 B:HIS360 2.2 42.9 1.0 OXT B:ILE663 2.2 53.3 1.0 NE2 B:HIS540 2.2 29.9 1.0 OD1 B:ASN544 2.8 33.5 1.0 CE1 B:HIS360 3.0 35.1 1.0 C B:ILE663 3.0 50.8 1.0 O B:ILE663 3.0 47.3 1.0 CE1 B:HIS365 3.1 33.1 1.0 CD2 B:HIS540 3.2 22.3 1.0 CD2 B:HIS365 3.2 35.8 1.0 CE1 B:HIS540 3.3 35.0 1.0 CD2 B:HIS360 3.3 31.4 1.0 CG B:ASN544 3.5 41.2 1.0 CB B:ASN544 4.0 34.3 1.0 ND1 B:HIS360 4.1 39.9 1.0 ND1 B:HIS365 4.2 35.0 1.0 ND2 B:ASN544 4.3 44.2 1.0 CG B:HIS365 4.3 27.8 1.0 CG B:HIS540 4.3 29.1 1.0 CG B:HIS360 4.3 28.1 1.0 ND1 B:HIS540 4.4 34.1 1.0 CA B:ILE663 4.4 49.5 1.0 N B:ILE663 4.7 43.9 1.0 C9 B:ACD903 4.8 45.4 1.0 CG1 B:VAL661 4.9 34.9 1.0 C8 B:ACD903 5.0 46.2 1.0

Iron binding site 3 out of 6 in the The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe901 b:61.2 occ:1.00 NE2 C:HIS365 2.2 35.1 1.0 NE2 C:HIS360 2.2 41.7 1.0 OXT C:ILE663 2.2 53.2 1.0 NE2 C:HIS540 2.3 30.2 1.0 OD1 C:ASN544 2.8 32.5 1.0 CE1 C:HIS360 3.0 35.4 1.0 C C:ILE663 3.0 50.6 1.0 O C:ILE663 3.0 48.4 1.0 CE1 C:HIS365 3.1 34.0 1.0 CD2 C:HIS540 3.2 21.0 1.0 CD2 C:HIS365 3.2 36.0 1.0 CE1 C:HIS540 3.3 35.4 1.0 CD2 C:HIS360 3.3 31.0 1.0 CG C:ASN544 3.5 39.7 1.0 CB C:ASN544 4.0 33.6 1.0 ND1 C:HIS360 4.1 39.9 1.0 ND1 C:HIS365 4.2 34.2 1.0 ND2 C:ASN544 4.3 42.8 1.0 CG C:HIS365 4.3 28.2 1.0 CG C:HIS540 4.3 26.7 1.0 CG C:HIS360 4.3 27.8 1.0 ND1 C:HIS540 4.4 33.0 1.0 CA C:ILE663 4.4 48.3 1.0 N C:ILE663 4.7 43.7 1.0 C9 C:ACD903 4.8 45.1 1.0 CG1 C:VAL661 4.9 35.2 1.0 C8 C:ACD903 5.0 46.8 1.0

Iron binding site 4 out of 6 in the The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe901 b:64.0 occ:1.00 NE2 D:HIS365 2.2 40.5 1.0 OXT D:ILE663 2.2 50.2 1.0 NE2 D:HIS360 2.2 43.1 1.0 NE2 D:HIS540 2.3 29.8 1.0 OD1 D:ASN544 2.8 32.2 1.0 C D:ILE663 2.9 51.7 1.0 O D:ILE663 3.0 48.4 1.0 CE1 D:HIS360 3.0 38.4 1.0 CE1 D:HIS365 3.1 35.3 1.0 CD2 D:HIS540 3.2 24.0 1.0 CD2 D:HIS365 3.2 37.1 1.0 CE1 D:HIS540 3.3 36.0 1.0 CD2 D:HIS360 3.3 31.2 1.0 CG D:ASN544 3.5 39.2 1.0 CB D:ASN544 4.1 35.4 1.0 ND1 D:HIS360 4.2 41.6 1.0 ND1 D:HIS365 4.2 33.0 1.0 ND2 D:ASN544 4.3 44.9 1.0 CG D:HIS365 4.3 29.1 1.0 CG D:HIS360 4.4 30.7 1.0 CG D:HIS540 4.4 32.1 1.0 CA D:ILE663 4.4 51.4 1.0 ND1 D:HIS540 4.4 37.4 1.0 N D:ILE663 4.7 44.7 1.0 C9 D:ACD903 4.8 47.1 1.0 CG1 D:VAL661 4.9 36.2 1.0 C8 D:ACD903 5.0 48.5 1.0

Iron binding site 5 out of 6 in the The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe901 b:64.0 occ:1.00 NE2 E:HIS365 2.2 37.0 1.0 NE2 E:HIS360 2.2 42.8 1.0 OXT E:ILE663 2.2 49.9 1.0 NE2 E:HIS540 2.3 29.6 1.0 OD1 E:ASN544 2.8 35.2 1.0 C E:ILE663 3.0 49.2 1.0 CE1 E:HIS360 3.0 35.9 1.0 O E:ILE663 3.0 48.6 1.0 CE1 E:HIS365 3.1 32.5 1.0 CD2 E:HIS540 3.2 20.1 1.0 CD2 E:HIS365 3.2 35.7 1.0 CE1 E:HIS540 3.3 35.2 1.0 CD2 E:HIS360 3.3 29.9 1.0 CG E:ASN544 3.5 37.1 1.0 CB E:ASN544 4.1 32.0 1.0 ND1 E:HIS360 4.1 39.3 1.0 ND1 E:HIS365 4.2 31.4 1.0 ND2 E:ASN544 4.3 46.3 1.0 CG E:HIS365 4.3 27.9 1.0 CG E:HIS360 4.3 28.1 1.0 CG E:HIS540 4.4 29.8 1.0 ND1 E:HIS540 4.4 33.8 1.0 CA E:ILE663 4.4 47.3 1.0 N E:ILE663 4.7 41.7 1.0 C9 E:ACD903 4.8 43.5 1.0 CG1 E:VAL661 4.9 33.9 1.0 C8 E:ACD903 5.0 46.2 1.0

Iron binding site 6 out of 6 in the The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Structure of H12-Lox in Hexameric Form Bound to Inhibitor ML355 and Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe901 b:58.5 occ:1.00 NE2 F:HIS365 2.2 32.6 1.0 OXT F:ILE663 2.2 44.3 1.0 NE2 F:HIS360 2.2 37.4 1.0 NE2 F:HIS540 2.3 23.5 1.0 OD1 F:ASN544 2.8 29.4 1.0 O F:ILE663 2.9 41.3 1.0 C F:ILE663 2.9 42.5 1.0 CE1 F:HIS360 3.0 30.9 1.0 CE1 F:HIS365 3.1 27.3 1.0 CD2 F:HIS540 3.2 15.4 1.0 CD2 F:HIS365 3.2 30.4 1.0 CE1 F:HIS540 3.3 30.0 1.0 CD2 F:HIS360 3.3 23.4 1.0 CG F:ASN544 3.5 32.4 1.0 CB F:ASN544 4.1 26.6 1.0 ND1 F:HIS360 4.1 34.8 1.0 ND1 F:HIS365 4.2 26.2 1.0 ND2 F:ASN544 4.3 41.0 1.0 CG F:HIS365 4.3 22.4 1.0 CG F:HIS360 4.4 23.4 1.0 CA F:ILE663 4.4 41.4 1.0 CG F:HIS540 4.4 24.4 1.0 ND1 F:HIS540 4.4 29.3 1.0 N F:ILE663 4.7 36.4 1.0 C9 F:ACD903 4.8 37.5 1.0 CG1 F:VAL661 4.9 28.6 1.0 C8 F:ACD903 4.9 39.6 1.0

J.I.Mobbs, K.A.Black, M.Tran, W.A.C.Burger, H.Venugopal, T.R.Holman, M.Holinstat, D.Thal, A.Glukhova. Cryo-Em Structures of Human Arachidonate 12S-Lipoxygenase (12-Lox) Bound to Endogenous and Exogenous Inhibitors. Blood 2023.
ISSN: ESSN 1528-0020
PubMed: 37506345
DOI: 10.1182/BLOOD.2023020441