Iron in PDB 7uwp: Detergent-Bound CYP51 From Acanthamoeba Castellanii

All present enzymatic activity of Detergent-Bound CYP51 From Acanthamoeba Castellanii:
1.14.13.70;

The structure of Detergent-Bound CYP51 From Acanthamoeba Castellanii, PDB code: 7uwp was solved by T.Y.Hargrove, Z.Wawrzak, G.I.Lepesheva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.08 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.397, 101.561, 122.004, 90, 90, 90
R / Rfree (%)	19.3 / 22.5

The binding sites of Iron atom in the Detergent-Bound CYP51 From Acanthamoeba Castellanii (pdb code 7uwp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Detergent-Bound CYP51 From Acanthamoeba Castellanii, PDB code: 7uwp:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Detergent-Bound CYP51 From Acanthamoeba Castellanii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Detergent-Bound CYP51 From Acanthamoeba Castellanii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:7.8 occ:1.00 FE A:HEM501 0.0 7.8 1.0 ND A:HEM501 1.9 8.4 1.0 NA A:HEM501 2.0 7.2 1.0 NC A:HEM501 2.1 8.0 1.0 NB A:HEM501 2.1 6.8 1.0 SG A:CYS434 2.3 10.8 1.0 O A:HOH750 2.5 18.0 1.0 C1D A:HEM501 2.9 9.2 1.0 C4D A:HEM501 2.9 8.9 1.0 C4C A:HEM501 3.0 8.6 1.0 C4B A:HEM501 3.0 6.9 1.0 C1A A:HEM501 3.0 8.0 1.0 C1B A:HEM501 3.0 6.9 1.0 C4A A:HEM501 3.1 7.3 1.0 C1C A:HEM501 3.1 7.9 1.0 CB A:CYS434 3.3 12.1 1.0 CHD A:HEM501 3.4 9.0 1.0 CHA A:HEM501 3.4 8.3 1.0 CHB A:HEM501 3.5 6.9 1.0 CHC A:HEM501 3.5 7.6 1.0 CA A:CYS434 4.0 12.1 1.0 C2D A:HEM501 4.1 10.7 1.0 C3D A:HEM501 4.2 11.5 1.0 C3C A:HEM501 4.2 9.4 1.0 O A:ALA294 4.2 10.9 1.0 C2A A:HEM501 4.2 8.0 1.0 C3A A:HEM501 4.2 7.5 1.0 C2B A:HEM501 4.3 6.3 1.0 C2C A:HEM501 4.3 8.8 1.0 C3B A:HEM501 4.3 6.5 1.0 O A:HOH970 4.6 35.4 1.0 CB A:ALA294 4.7 10.9 1.0 N A:GLY436 4.7 12.5 1.0 C A:CYS434 4.8 12.2 1.0 N A:MET435 4.8 12.6 1.0 C A:ALA294 4.9 10.8 1.0

Iron binding site 2 out of 2 in the Detergent-Bound CYP51 From Acanthamoeba Castellanii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Detergent-Bound CYP51 From Acanthamoeba Castellanii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:9.1 occ:1.00 FE B:HEM501 0.0 9.1 1.0 ND B:HEM501 1.9 8.7 1.0 NA B:HEM501 2.0 7.7 1.0 NC B:HEM501 2.0 8.6 1.0 NB B:HEM501 2.1 7.7 1.0 SG B:CYS434 2.3 13.4 1.0 O B:HOH704 2.6 18.2 1.0 C1D B:HEM501 2.9 9.6 1.0 C4D B:HEM501 2.9 9.6 1.0 C4C B:HEM501 3.0 9.1 1.0 C1A B:HEM501 3.0 8.9 1.0 C1B B:HEM501 3.0 7.9 1.0 C4B B:HEM501 3.1 8.0 1.0 C4A B:HEM501 3.1 8.5 1.0 C1C B:HEM501 3.1 8.2 1.0 CHD B:HEM501 3.4 9.5 1.0 CB B:CYS434 3.4 14.5 1.0 CHA B:HEM501 3.4 9.2 1.0 CHB B:HEM501 3.5 8.0 1.0 CHC B:HEM501 3.5 8.3 1.0 CA B:CYS434 3.9 15.1 1.0 C2D B:HEM501 4.1 10.6 1.0 C3D B:HEM501 4.2 11.1 1.0 O B:ALA294 4.2 15.0 1.0 C2A B:HEM501 4.2 9.2 1.0 C3C B:HEM501 4.2 9.7 1.0 C3A B:HEM501 4.2 8.4 1.0 C2B B:HEM501 4.3 7.6 1.0 C2C B:HEM501 4.3 8.5 1.0 C3B B:HEM501 4.3 7.5 1.0 O B:HOH871 4.5 45.7 1.0 N B:GLY436 4.6 14.7 1.0 C B:CYS434 4.7 15.1 1.0 CB B:ALA294 4.7 15.9 1.0 N B:MET435 4.8 16.0 1.0 C B:ALA294 4.9 14.5 1.0 CA B:GLY436 5.0 14.2 1.0

T.Y.Hargrove, Z.Wawrzak, G.I.Lepesheva. Detergent-Bound CYP51 From Acanthamoeba Castellanii To Be Published.