Iron in PDB 6ncf: The Structure of Stable-5-Lipoxygenase Bound to Akba

All present enzymatic activity of The Structure of Stable-5-Lipoxygenase Bound to Akba:
1.13.11.34;

The structure of The Structure of Stable-5-Lipoxygenase Bound to Akba, PDB code: 6ncf was solved by M.E.Newcomer, N.C.Gilbert, D.B.Neau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.87
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.870, 203.720, 110.440, 90.00, 109.71, 90.00
R / Rfree (%)	27.5 / 29.7

The binding sites of Iron atom in the The Structure of Stable-5-Lipoxygenase Bound to Akba (pdb code 6ncf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Structure of Stable-5-Lipoxygenase Bound to Akba, PDB code: 6ncf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The Structure of Stable-5-Lipoxygenase Bound to Akba


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 Stable-5-Lipoxygenase Bound to Akba within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:28.4 occ:1.00 NE2 A:HIS367 2.4 25.2 1.0 NE2 A:HIS550 2.5 25.5 1.0 CD2 A:HIS550 2.6 24.9 1.0 O A:ILE673 2.7 28.2 1.0 CE1 A:HIS367 2.8 25.5 1.0 CE1 A:HIS372 2.8 26.3 1.0 OXT A:ILE673 3.0 28.2 1.0 CB A:ASN554 3.2 27.2 1.0 CD2 A:HIS367 3.2 25.1 1.0 C A:ILE673 3.3 28.7 1.0 CE1 A:HIS550 3.5 25.2 1.0 CG A:ASN554 3.6 28.0 1.0 ND1 A:HIS367 3.6 25.5 1.0 CG A:HIS550 3.6 24.0 1.0 NE2 A:HIS372 3.7 26.2 1.0 ND1 A:HIS372 3.7 25.9 1.0 OD1 A:ASN554 3.8 29.0 1.0 O A:HIS550 3.8 25.6 1.0 CG A:HIS367 3.9 25.3 1.0 ND1 A:HIS550 4.0 24.3 1.0 CA A:ASN554 4.2 26.8 1.0 ND2 A:ASN554 4.3 27.5 1.0 CG2 A:VAL553 4.4 23.9 1.0 N A:ASN554 4.5 25.9 1.0 C A:HIS550 4.5 24.1 1.0 CG2 A:THR371 4.6 24.5 1.0 CB A:HIS550 4.7 23.0 1.0 CA A:ILE673 4.8 28.6 1.0 CA A:HIS550 4.9 23.1 1.0 CD2 A:HIS372 4.9 25.7 1.0 CG A:HIS372 4.9 25.5 1.0 CG1 A:VAL671 4.9 26.7 1.0 O A:HIS367 4.9 23.8 1.0

Iron binding site 2 out of 4 in the The Structure of Stable-5-Lipoxygenase Bound to Akba


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 Stable-5-Lipoxygenase Bound to Akba within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:41.6 occ:1.00 NE2 B:HIS372 2.4 29.3 1.0 O B:ILE673 2.4 33.5 1.0 NE2 B:HIS367 2.5 29.5 1.0 OXT B:ILE673 2.5 33.2 1.0 C B:ILE673 2.8 33.8 1.0 OD1 B:ASN554 2.9 33.4 1.0 CE1 B:HIS372 3.1 29.5 1.0 NE2 B:HIS550 3.2 30.2 1.0 CD2 B:HIS367 3.4 29.2 1.0 CE1 B:HIS367 3.5 30.2 1.0 CD2 B:HIS550 3.5 29.9 1.0 CD2 B:HIS372 3.6 28.6 1.0 CG B:ASN554 3.9 33.5 1.0 ND1 B:HIS372 4.3 28.9 1.0 CA B:ILE673 4.4 34.0 1.0 CB B:ASN554 4.4 33.1 1.0 CE1 B:HIS550 4.4 30.3 1.0 CG B:HIS367 4.6 29.9 1.0 ND1 B:HIS367 4.6 30.5 1.0 CG B:HIS372 4.6 28.3 1.0 CG B:HIS550 4.9 29.6 1.0 CG1 B:VAL671 4.9 30.5 1.0 ND2 B:ASN554 4.9 33.9 1.0

Iron binding site 3 out of 4 in the The Structure of Stable-5-Lipoxygenase Bound to Akba


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 Stable-5-Lipoxygenase Bound to Akba within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe701 b:6.6 occ:1.00 O C:ILE673 2.3 29.9 1.0 NE2 C:HIS367 2.4 29.1 1.0 OXT C:ILE673 2.5 30.6 1.0 C C:ILE673 2.7 30.3 1.0 NE2 C:HIS550 3.0 27.2 1.0 OD1 C:ASN554 3.1 29.0 1.0 CG C:ASN554 3.1 28.6 1.0 CE1 C:HIS367 3.2 29.6 1.0 CE1 C:HIS372 3.2 27.5 1.0 CD2 C:HIS367 3.5 28.9 1.0 ND2 C:ASN554 3.6 28.6 1.0 CB C:ASN554 3.6 28.0 1.0 NE2 C:HIS372 3.7 28.0 1.0 CD2 C:HIS550 3.8 26.9 1.0 CE1 C:HIS550 3.9 26.9 1.0 CA C:ILE673 4.0 30.2 1.0 CG2 C:ILE673 4.1 29.6 1.0 ND1 C:HIS367 4.4 29.9 1.0 CB C:ILE673 4.4 29.9 1.0 CG1 C:ILE673 4.4 30.3 1.0 ND1 C:HIS372 4.5 27.5 1.0 CG C:HIS367 4.5 29.4 1.0 CA C:ASN554 4.6 28.5 1.0 CD1 C:LEU607 4.8 33.5 1.0 CD2 C:LEU607 4.8 32.9 1.0 N C:ILE673 4.9 29.9 1.0 CG C:HIS550 4.9 26.3 1.0 ND1 C:HIS550 5.0 26.5 1.0

Iron binding site 4 out of 4 in the The Structure of Stable-5-Lipoxygenase Bound to Akba


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 Stable-5-Lipoxygenase Bound to Akba within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe701 b:8.3 occ:1.00 NE2 D:HIS372 2.3 24.4 1.0 NE2 D:HIS367 2.4 25.0 1.0 NE2 D:HIS550 2.5 24.8 1.0 CD2 D:HIS550 2.7 24.8 1.0 CD2 D:HIS372 3.0 24.4 1.0 CD2 D:HIS367 3.1 25.0 1.0 O D:ILE673 3.1 25.6 1.0 OXT D:ILE673 3.4 25.1 1.0 CE1 D:HIS372 3.5 24.2 1.0 CE1 D:HIS367 3.5 25.0 1.0 C D:ILE673 3.6 25.5 1.0 CE1 D:HIS550 3.8 24.8 1.0 CG1 D:VAL671 3.9 24.6 1.0 CG D:ASN554 4.0 25.2 1.0 CG D:HIS550 4.1 24.8 1.0 OD1 D:ASN554 4.1 25.2 1.0 CB D:ASN554 4.2 25.3 1.0 CG D:HIS372 4.2 24.2 1.0 CG D:HIS367 4.2 25.0 1.0 ND1 D:HIS367 4.4 25.1 1.0 ND2 D:ASN554 4.4 25.3 1.0 ND1 D:HIS372 4.4 24.1 1.0 ND1 D:HIS550 4.6 24.8 1.0 OG1 D:THR371 4.7 24.6 1.0 O D:HIS367 5.0 24.6 1.0

N.C.Gilbert, E.E.Schexnaydre, D.B.Neau, J.Gertmeier, U.Garsha, O.Werz, M.E.Newcomer. Identification of A Binding Site For Allosteric Inhibition of 5-Lipoxygenase To Be Published.