Iron in PDB 1zo9: Crystal Structure of the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine

All present enzymatic activity of Crystal Structure of the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine:
1.14.14.1;

The structure of Crystal Structure of the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine, PDB code: 1zo9 was solved by A.Hegda, B.Chen, D.R.Tomchick, M.Bondlela, D.C.Haines, N.Schaffer, M.Machius, S.E.Graham, J.A.Peterson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.60 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.039, 147.807, 63.604, 90.00, 98.60, 90.00
R / Rfree (%)	16.4 / 19.9

The binding sites of Iron atom in the Crystal Structure of the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine (pdb code 1zo9). 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 the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine, PDB code: 1zo9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine


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 the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe471 b:18.6 occ:1.00 FE A:HEM471 0.0 18.6 1.0 NC A:HEM471 2.0 17.1 1.0 ND A:HEM471 2.0 15.2 1.0 NB A:HEM471 2.0 19.0 1.0 NA A:HEM471 2.1 16.7 1.0 SG A:CYS400 2.5 17.4 1.0 C4C A:HEM471 3.0 16.9 1.0 C1C A:HEM471 3.0 17.4 1.0 C1D A:HEM471 3.0 15.0 1.0 C4B A:HEM471 3.1 16.5 1.0 C4D A:HEM471 3.1 17.4 1.0 C1B A:HEM471 3.1 18.4 1.0 C1A A:HEM471 3.1 17.6 1.0 C4A A:HEM471 3.1 17.2 1.0 CB A:CYS400 3.3 16.7 1.0 CHD A:HEM471 3.4 17.7 1.0 CHC A:HEM471 3.4 17.2 1.0 O A:HOH1535 3.4 20.0 1.0 CHA A:HEM471 3.5 15.8 1.0 CHB A:HEM471 3.5 18.8 1.0 CA A:CYS400 4.0 15.6 1.0 C3C A:HEM471 4.2 16.9 1.0 C2C A:HEM471 4.3 15.4 1.0 C3D A:HEM471 4.3 15.4 1.0 C2D A:HEM471 4.3 17.1 1.0 C3B A:HEM471 4.3 15.8 1.0 C2B A:HEM471 4.3 16.6 1.0 C2A A:HEM471 4.3 16.2 1.0 C3A A:HEM471 4.4 15.8 1.0 CE2 A:PHE87 4.4 18.2 1.0 O A:ALA264 4.7 16.4 1.0 C A:CYS400 4.8 16.5 1.0 N A:ILE401 4.9 16.2 1.0 N A:GLY402 4.9 17.6 1.0 CB A:ALA264 5.0 16.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine


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 the Wild Type Heme Domain of P450BM-3 with N- Palmitoylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe471 b:18.7 occ:1.00 FE B:HEM471 0.0 18.7 1.0 NA B:HEM471 2.0 16.1 1.0 ND B:HEM471 2.0 16.3 1.0 NB B:HEM471 2.0 15.5 1.0 NC B:HEM471 2.1 16.5 1.0 SG B:CYS400 2.4 18.7 1.0 C4D B:HEM471 3.0 16.7 1.0 C1A B:HEM471 3.0 18.8 1.0 C4A B:HEM471 3.1 16.2 1.0 C1B B:HEM471 3.1 17.8 1.0 C1D B:HEM471 3.1 19.2 1.0 C4B B:HEM471 3.1 18.0 1.0 C4C B:HEM471 3.1 19.4 1.0 C1C B:HEM471 3.1 16.2 1.0 CB B:CYS400 3.3 13.7 1.0 CHA B:HEM471 3.4 18.0 1.0 CHB B:HEM471 3.4 18.1 1.0 CHD B:HEM471 3.5 21.7 1.0 CHC B:HEM471 3.5 17.9 1.0 O B:HOH1542 3.5 19.9 1.0 CA B:CYS400 3.9 14.4 1.0 C2A B:HEM471 4.3 14.2 1.0 C3A B:HEM471 4.3 14.7 1.0 C3D B:HEM471 4.3 16.3 1.0 C2D B:HEM471 4.3 19.2 1.0 C2B B:HEM471 4.3 17.7 1.0 C3B B:HEM471 4.3 18.1 1.0 C3C B:HEM471 4.3 18.9 1.0 C2C B:HEM471 4.4 16.4 1.0 CE2 B:PHE87 4.4 14.5 1.0 C B:CYS400 4.7 17.1 1.0 O B:ALA264 4.8 17.7 1.0 N B:ILE401 4.8 15.2 1.0 N B:GLY402 4.9 19.1 1.0

A.Hegde, D.C.Haines, M.Bondlela, B.Chen, N.Schaffer, D.R.Tomchick, M.Machius, H.Nguyen, P.K.Chowdhary, L.Stewart, C.Lopez, J.A.Peterson. Interactions of Substrates at the Surface of P450S Can Greatly Enhance Substrate Potency. Biochemistry V. 46 14010 2007.
ISSN: ISSN 0006-2960
PubMed: 18004886
DOI: 10.1021/BI701667M