Iron in PDB 3k9v: Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Chaps

The structure of Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Chaps, PDB code: 3k9v 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)	30.00 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.609, 81.647, 108.699, 90.00, 122.89, 90.00
R / Rfree (%)	20.6 / 25.2

The binding sites of Iron atom in the Crystal Structure of Rat Mitochondrial P450 24A1 S57D in Complex with Chaps (pdb code 3k9v). 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 Chaps, PDB code: 3k9v:
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 Chaps


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 Chaps within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe520 b:14.1 occ:1.00 FE A:HEM520 0.0 14.1 1.0 NA A:HEM520 2.0 13.7 1.0 ND A:HEM520 2.0 14.5 1.0 NC A:HEM520 2.0 12.6 1.0 NB A:HEM520 2.2 14.2 1.0 SG A:CYS462 2.4 17.7 1.0 O A:HOH4 2.8 32.1 1.0 C1A A:HEM520 3.0 14.2 1.0 C4C A:HEM520 3.0 12.6 1.0 C4D A:HEM520 3.0 15.0 1.0 C1D A:HEM520 3.0 13.1 1.0 C4A A:HEM520 3.1 14.2 1.0 C1C A:HEM520 3.1 13.0 1.0 C4B A:HEM520 3.1 15.9 1.0 C1B A:HEM520 3.1 13.5 1.0 CHA A:HEM520 3.3 15.2 1.0 CHD A:HEM520 3.4 12.3 1.0 CB A:CYS462 3.4 21.0 1.0 CHB A:HEM520 3.5 14.2 1.0 CHC A:HEM520 3.5 13.9 1.0 CA A:CYS462 4.1 21.8 1.0 C3C A:HEM520 4.1 12.5 1.0 C2C A:HEM520 4.2 12.4 1.0 C2A A:HEM520 4.3 14.4 1.0 C3A A:HEM520 4.3 13.2 1.0 C2D A:HEM520 4.3 13.5 1.0 C3D A:HEM520 4.3 14.4 1.0 C2B A:HEM520 4.3 14.6 1.0 C3B A:HEM520 4.4 15.6 1.0 N A:GLY464 4.7 22.7 1.0 N A:ILE463 4.7 21.7 1.0 CB A:ALA326 4.7 20.3 1.0 O A:ALA326 4.7 20.3 1.0 C A:CYS462 4.8 22.1 1.0

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


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 Chaps within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe520 b:12.0 occ:1.00 FE B:HEM520 0.0 12.0 1.0 ND B:HEM520 2.0 13.0 1.0 NA B:HEM520 2.0 14.6 1.0 NC B:HEM520 2.0 13.4 1.0 SG B:CYS462 2.2 14.3 1.0 NB B:HEM520 2.2 13.1 1.0 C4C B:HEM520 2.9 14.2 1.0 C1A B:HEM520 3.0 13.7 1.0 C4D B:HEM520 3.0 14.0 1.0 C1D B:HEM520 3.0 14.0 1.0 C1C B:HEM520 3.1 13.3 1.0 C4A B:HEM520 3.1 14.6 1.0 C1B B:HEM520 3.2 14.1 1.0 C4B B:HEM520 3.2 14.9 1.0 CB B:CYS462 3.3 17.3 1.0 CHD B:HEM520 3.4 14.2 1.0 CHA B:HEM520 3.4 15.1 1.0 CHB B:HEM520 3.5 14.3 1.0 CHC B:HEM520 3.6 13.3 1.0 C3C B:HEM520 4.1 14.9 1.0 CA B:CYS462 4.1 17.4 1.0 C2C B:HEM520 4.2 15.0 1.0 C2A B:HEM520 4.3 13.7 1.0 C3D B:HEM520 4.3 13.5 1.0 C2D B:HEM520 4.3 13.7 1.0 C3A B:HEM520 4.3 14.2 1.0 C2B B:HEM520 4.4 15.2 1.0 C3B B:HEM520 4.4 15.4 1.0 O B:ALA326 4.6 21.4 1.0 N B:GLY464 4.8 17.2 1.0 CB B:ALA326 4.8 21.7 1.0 N B:ILE463 4.9 16.3 1.0 C B:CYS462 4.9 17.1 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