Iron in PDB 1jpz: Crystal Structure of A Complex of the Heme Domain of P450BM- 3 with N-Palmitoylglycine

All present enzymatic activity of Crystal Structure of A Complex of the Heme Domain of P450BM- 3 with N-Palmitoylglycine:
1.14.14.1;

The structure of Crystal Structure of A Complex of the Heme Domain of P450BM- 3 with N-Palmitoylglycine, PDB code: 1jpz was solved by D.C.Haines, D.R.Tomchick, M.Machius, J.A.Peterson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.190, 148.356, 64.134, 90.00, 98.82, 90.00
R / Rfree (%)	17.7 / 19.3

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

Iron binding site 1 out of 2 in the Crystal Structure of A Complex of the Heme Domain of P450BM- 3 with N-Palmitoylglycine


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 A Complex of the Heme Domain of P450BM- 3 with N-Palmitoylglycine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe471 b:19.0 occ:1.00 FE A:HEM471 0.0 19.0 1.0 ND A:HEM471 2.0 16.6 1.0 NB A:HEM471 2.0 17.2 1.0 NC A:HEM471 2.0 17.2 1.0 NA A:HEM471 2.0 17.5 1.0 SG A:CYS400 2.5 18.8 1.0 C4D A:HEM471 3.0 17.7 1.0 C1B A:HEM471 3.1 18.4 1.0 C1D A:HEM471 3.1 17.2 1.0 C4C A:HEM471 3.1 19.1 1.0 C4A A:HEM471 3.1 17.9 1.0 C1A A:HEM471 3.1 17.2 1.0 C4B A:HEM471 3.1 17.8 1.0 C1C A:HEM471 3.1 18.8 1.0 CB A:CYS400 3.3 15.4 1.0 CHA A:HEM471 3.4 18.6 1.0 CHD A:HEM471 3.4 19.6 1.0 CHB A:HEM471 3.4 17.9 1.0 CHC A:HEM471 3.5 18.8 1.0 O A:HOH502 3.5 20.0 1.0 CA A:CYS400 4.0 16.8 1.0 C2A A:HEM471 4.3 17.3 1.0 C3C A:HEM471 4.3 19.5 1.0 C3D A:HEM471 4.3 15.9 1.0 C2B A:HEM471 4.3 17.3 1.0 C2D A:HEM471 4.3 19.1 1.0 C3A A:HEM471 4.3 17.2 1.0 C3B A:HEM471 4.3 17.8 1.0 C2C A:HEM471 4.3 17.8 1.0 CE2 A:PHE87 4.4 17.9 1.0 C A:CYS400 4.8 19.5 1.0 O A:ALA264 4.8 18.5 1.0 N A:ILE401 4.9 17.3 1.0 N A:GLY402 4.9 18.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A Complex of the Heme Domain of P450BM- 3 with N-Palmitoylglycine


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 A Complex of the Heme Domain of P450BM- 3 with N-Palmitoylglycine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe471 b:18.6 occ:1.00 FE B:HEM471 0.0 18.6 1.0 ND B:HEM471 2.0 16.4 1.0 NB B:HEM471 2.0 15.7 1.0 NC B:HEM471 2.0 17.7 1.0 NA B:HEM471 2.0 17.8 1.0 SG B:CYS400 2.5 18.9 1.0 C4D B:HEM471 3.0 19.6 1.0 C1D B:HEM471 3.1 19.4 1.0 C1B B:HEM471 3.1 19.1 1.0 C4C B:HEM471 3.1 19.3 1.0 C4A B:HEM471 3.1 19.4 1.0 C4B B:HEM471 3.1 19.1 1.0 C1A B:HEM471 3.1 18.0 1.0 C1C B:HEM471 3.1 17.6 1.0 CB B:CYS400 3.4 16.0 1.0 CHD B:HEM471 3.4 21.6 1.0 CHB B:HEM471 3.4 20.4 1.0 CHA B:HEM471 3.4 17.6 1.0 CHC B:HEM471 3.5 17.8 1.0 O B:HOH500 3.5 21.4 1.0 CA B:CYS400 4.0 18.7 1.0 C3C B:HEM471 4.3 18.7 1.0 C3D B:HEM471 4.3 16.1 1.0 C2D B:HEM471 4.3 17.2 1.0 C2B B:HEM471 4.3 18.5 1.0 C2A B:HEM471 4.3 15.9 1.0 C2C B:HEM471 4.3 18.4 1.0 C3A B:HEM471 4.3 17.1 1.0 C3B B:HEM471 4.3 19.1 1.0 CE2 B:PHE87 4.4 18.2 1.0 O B:ALA264 4.7 18.9 1.0 C B:CYS400 4.8 20.0 1.0 N B:ILE401 4.8 18.3 1.0 N B:GLY402 4.9 19.3 1.0

D.C.Haines, D.R.Tomchick, M.Machius, J.A.Peterson. Pivotal Role of Water in the Mechanism of P450BM-3. Biochemistry V. 40 13456 2001.
ISSN: ISSN 0006-2960
PubMed: 11695892
DOI: 10.1021/BI011197Q