Iron in PDB 2wiv: Cytochrome-P450 Xpla Heme Domain P21

The structure of Cytochrome-P450 Xpla Heme Domain P21, PDB code: 2wiv was solved by F.Sabbadin, R.Jackson, N.C.Bruce, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.89 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.129, 123.019, 64.608, 90.00, 98.54, 90.00
R / Rfree (%)	16.7 / 21.4

The binding sites of Iron atom in the Cytochrome-P450 Xpla Heme Domain P21 (pdb code 2wiv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome-P450 Xpla Heme Domain P21, PDB code: 2wiv:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome-P450 Xpla Heme Domain P21


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome-P450 Xpla Heme Domain P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1553 b:18.4 occ:1.00 FE A:HEM1553 0.0 18.4 1.0 NB A:HEM1553 2.0 15.6 1.0 ND A:HEM1553 2.0 17.8 1.0 NC A:HEM1553 2.1 18.0 1.0 NA A:HEM1553 2.1 15.9 1.0 SG A:CYS503 2.3 16.6 1.0 C4B A:HEM1553 2.9 18.2 1.0 C4D A:HEM1553 3.1 16.8 1.0 C1D A:HEM1553 3.1 19.6 1.0 C1B A:HEM1553 3.1 18.8 1.0 C1C A:HEM1553 3.1 18.4 1.0 C4C A:HEM1553 3.1 17.3 1.0 C4A A:HEM1553 3.1 17.6 1.0 C1A A:HEM1553 3.1 16.8 1.0 CHC A:HEM1553 3.3 21.5 1.0 CB A:CYS503 3.3 15.1 1.0 CHA A:HEM1553 3.4 12.2 1.0 CHD A:HEM1553 3.4 21.5 1.0 CHB A:HEM1553 3.4 17.3 1.0 CA A:CYS503 4.0 17.0 1.0 C3B A:HEM1553 4.2 21.0 1.0 C2B A:HEM1553 4.3 18.1 1.0 C3C A:HEM1553 4.3 17.8 1.0 C3D A:HEM1553 4.3 14.0 1.0 C2C A:HEM1553 4.3 17.6 1.0 C2D A:HEM1553 4.3 17.1 1.0 C3A A:HEM1553 4.4 18.4 1.0 C2A A:HEM1553 4.4 13.6 1.0 N A:GLY505 4.5 16.5 1.0 N A:ALA504 4.5 17.7 1.0 C A:CYS503 4.6 16.9 1.0 CA A:GLY505 4.9 16.9 1.0

Iron binding site 2 out of 2 in the Cytochrome-P450 Xpla Heme Domain P21


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome-P450 Xpla Heme Domain P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1553 b:19.3 occ:1.00 FE B:HEM1553 0.0 19.3 1.0 NB B:HEM1553 2.0 13.3 1.0 NA B:HEM1553 2.1 17.0 1.0 NC B:HEM1553 2.1 18.2 1.0 ND B:HEM1553 2.1 18.7 1.0 SG B:CYS503 2.4 21.1 1.0 C4B B:HEM1553 2.9 20.0 1.0 C1C B:HEM1553 3.0 19.1 1.0 C1A B:HEM1553 3.0 16.4 1.0 C4D B:HEM1553 3.0 18.6 1.0 C4C B:HEM1553 3.1 20.1 1.0 C4A B:HEM1553 3.1 14.4 1.0 C1B B:HEM1553 3.1 17.8 1.0 C1D B:HEM1553 3.2 20.3 1.0 CHC B:HEM1553 3.2 17.8 1.0 CHA B:HEM1553 3.4 14.5 1.0 CB B:CYS503 3.5 17.5 1.0 CHD B:HEM1553 3.5 22.9 1.0 CHB B:HEM1553 3.5 17.6 1.0 CA B:CYS503 4.0 18.4 1.0 C3B B:HEM1553 4.1 19.3 1.0 C2A B:HEM1553 4.3 14.8 1.0 C2C B:HEM1553 4.3 20.4 1.0 C3C B:HEM1553 4.3 20.7 1.0 C2B B:HEM1553 4.3 20.3 1.0 C3A B:HEM1553 4.3 15.4 1.0 C3D B:HEM1553 4.3 20.9 1.0 C2D B:HEM1553 4.3 19.4 1.0 N B:GLY505 4.6 21.0 1.0 N B:ALA504 4.6 18.4 1.0 C B:CYS503 4.7 18.1 1.0

F.Sabbadin, R.Jackson, K.Haider, G.Tampi, J.P.Turkenburg, S.Hart, N.C.Bruce, G.Grogan. The 1.5-A Structure of Xpla-Heme, An Unusual Cytochrome P450 Heme Domain That Catalyzes Reductive Biotransformation of Royal Demolition Explosive. J.Biol.Chem. V. 284 28467 2009.
ISSN: ISSN 0021-9258
PubMed: 19692330
DOI: 10.1074/JBC.M109.031559