Iron in PDB 3k9y: Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Cymal-5

The structure of Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Cymal-5, PDB code: 3k9y was solved by A.J.Annalora, D.B.Goodin, W.Hong, Q.Zhang, E.F.Johnson, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.297, 81.303, 108.707, 90.00, 122.44, 90.00
R / Rfree (%)	25.1 / 31.8

The binding sites of Iron atom in the Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Cymal-5 (pdb code 3k9y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Cymal-5, PDB code: 3k9y:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Cymal-5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Cymal-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe520 b:72.8 occ:1.00 FE A:HEM520 0.0 72.8 1.0 NC A:HEM520 2.0 37.3 1.0 NB A:HEM520 2.0 35.8 1.0 NA A:HEM520 2.0 34.4 1.0 ND A:HEM520 2.1 37.4 1.0 SG A:CYS462 2.3 63.2 1.0 C4A A:HEM520 3.0 35.8 1.0 C1B A:HEM520 3.0 33.2 1.0 C1D A:HEM520 3.0 38.1 1.0 C4C A:HEM520 3.0 38.3 1.0 C4B A:HEM520 3.0 36.5 1.0 C1C A:HEM520 3.0 38.4 1.0 C4D A:HEM520 3.1 35.5 1.0 C1A A:HEM520 3.1 35.6 1.0 CHB A:HEM520 3.2 35.9 1.0 CHD A:HEM520 3.3 37.8 1.0 CHC A:HEM520 3.3 36.6 1.0 CHA A:HEM520 3.4 36.2 1.0 CB A:CYS462 3.6 63.2 1.0 O A:ALA326 4.1 48.8 1.0 C2D A:HEM520 4.2 36.6 1.0 C2B A:HEM520 4.2 35.1 1.0 C3A A:HEM520 4.2 35.1 1.0 C2C A:HEM520 4.2 39.0 1.0 CA A:CYS462 4.2 56.7 1.0 C3C A:HEM520 4.2 38.2 1.0 C3B A:HEM520 4.2 36.3 1.0 C3D A:HEM520 4.3 33.5 1.0 C2A A:HEM520 4.3 37.5 1.0 N A:GLY464 4.8 83.4 1.0 N A:ILE463 4.9 60.4 1.0 C A:CYS462 5.0 56.7 1.0 CB A:ALA326 5.0 75.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Cymal-5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Cymal-5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe520 b:72.8 occ:1.00 FE B:HEM520 0.0 72.8 1.0 NA B:HEM520 2.0 31.9 1.0 NC B:HEM520 2.0 30.2 1.0 ND B:HEM520 2.1 27.5 1.0 NB B:HEM520 2.1 33.0 1.0 SG B:CYS462 2.4 56.8 1.0 C1D B:HEM520 3.0 28.8 1.0 C4B B:HEM520 3.0 37.3 1.0 C1C B:HEM520 3.0 33.3 1.0 C4A B:HEM520 3.0 33.1 1.0 C4C B:HEM520 3.0 31.4 1.0 C1B B:HEM520 3.1 36.6 1.0 C1A B:HEM520 3.1 33.5 1.0 C4D B:HEM520 3.1 26.6 1.0 CHD B:HEM520 3.3 31.1 1.0 CHC B:HEM520 3.3 33.6 1.0 CHB B:HEM520 3.3 35.6 1.0 CHA B:HEM520 3.4 30.5 1.0 CB B:CYS462 3.5 56.8 1.0 C2D B:HEM520 4.2 28.5 1.0 C2C B:HEM520 4.2 33.0 1.0 C3A B:HEM520 4.2 31.3 1.0 C3B B:HEM520 4.2 39.8 1.0 C2A B:HEM520 4.3 33.9 1.0 C3C B:HEM520 4.3 29.5 1.0 C3D B:HEM520 4.3 28.7 1.0 C2B B:HEM520 4.3 37.5 1.0 CA B:CYS462 4.4 42.7 1.0 O B:ALA326 4.7 50.9 1.0 CG2 B:THR330 5.0 41.5 1.0

A.J.Annalora, D.B.Goodin, W.X.Hong, Q.Zhang, E.F.Johnson, C.D.Stout. Crystal Structure of CYP24A1, A Mitochondrial Cytochrome P450 Involved in Vitamin D Metabolism. J.Mol.Biol. V. 396 441 2010.
ISSN: ISSN 0022-2836
PubMed: 19961857
DOI: 10.1016/J.JMB.2009.11.057