Iron in PDB 1zoa: Crystal Structure of A328V Mutant of the Heme Domain of P450BM-3 with N-Palmitoylglycine

All present enzymatic activity of Crystal Structure of A328V Mutant of the Heme Domain of P450BM-3 with N-Palmitoylglycine:
1.14.14.1;

The structure of Crystal Structure of A328V Mutant of the Heme Domain of P450BM-3 with N-Palmitoylglycine, PDB code: 1zoa was solved by A.Hegda, B.Chen, D.C.Haines, M.Bondlela, D.Mullin, S.E.Graham, 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 / 1.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.110, 148.050, 63.670, 90.00, 98.56, 90.00
R / Rfree (%)	16.5 / 19.6

The binding sites of Iron atom in the Crystal Structure of A328V Mutant of the Heme Domain of P450BM-3 with N-Palmitoylglycine (pdb code 1zoa). 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 A328V Mutant of the Heme Domain of P450BM-3 with N-Palmitoylglycine, PDB code: 1zoa:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A328V Mutant 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 A328V Mutant of the Heme Domain of P450BM-3 with N-Palmitoylglycine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe471 b:13.4 occ:1.00 FE A:HEM471 0.0 13.4 1.0 ND A:HEM471 2.0 11.8 1.0 NC A:HEM471 2.0 14.9 1.0 NB A:HEM471 2.0 13.4 1.0 NA A:HEM471 2.0 12.8 1.0 SG A:CYS400 2.4 12.9 1.0 C4D A:HEM471 3.0 11.8 1.0 C4C A:HEM471 3.1 14.8 1.0 C1D A:HEM471 3.1 12.3 1.0 C1B A:HEM471 3.1 12.6 1.0 C4A A:HEM471 3.1 9.7 1.0 C1A A:HEM471 3.1 11.0 1.0 C4B A:HEM471 3.1 14.8 1.0 C1C A:HEM471 3.1 16.0 1.0 CB A:CYS400 3.3 11.3 1.0 CHD A:HEM471 3.4 15.1 1.0 CHA A:HEM471 3.4 11.1 1.0 CHB A:HEM471 3.5 12.4 1.0 CHC A:HEM471 3.5 13.9 1.0 O A:HOH1519 3.5 23.9 1.0 CA A:CYS400 4.0 10.3 1.0 C3C A:HEM471 4.3 18.0 1.0 C2D A:HEM471 4.3 12.1 1.0 C3D A:HEM471 4.3 8.8 1.0 C2B A:HEM471 4.3 12.6 1.0 C2A A:HEM471 4.3 11.8 1.0 C3B A:HEM471 4.3 13.8 1.0 C3A A:HEM471 4.3 12.4 1.0 C2C A:HEM471 4.3 14.8 1.0 CE2 A:PHE87 4.4 15.9 1.0 C A:CYS400 4.8 12.0 1.0 N A:GLY402 4.8 16.0 1.0 N A:ILE401 4.8 11.0 1.0 O A:ALA264 4.9 20.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A328V Mutant 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 A328V Mutant of the Heme Domain of P450BM-3 with N-Palmitoylglycine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe471 b:12.5 occ:1.00 FE B:HEM471 0.0 12.5 1.0 NC B:HEM471 2.0 12.9 1.0 NB B:HEM471 2.0 12.0 1.0 ND B:HEM471 2.0 10.3 1.0 NA B:HEM471 2.0 12.9 1.0 SG B:CYS400 2.4 13.7 1.0 C4D B:HEM471 3.0 12.6 1.0 C4B B:HEM471 3.0 13.7 1.0 C1B B:HEM471 3.1 12.1 1.0 C4C B:HEM471 3.1 13.8 1.0 C1D B:HEM471 3.1 12.2 1.0 C1C B:HEM471 3.1 14.6 1.0 C1A B:HEM471 3.1 12.3 1.0 C4A B:HEM471 3.1 10.1 1.0 CB B:CYS400 3.3 11.6 1.0 CHA B:HEM471 3.4 10.5 1.0 O B:HOH1540 3.4 27.2 1.0 CHC B:HEM471 3.4 12.9 1.0 CHD B:HEM471 3.5 15.5 1.0 CHB B:HEM471 3.5 12.9 1.0 CA B:CYS400 4.0 11.4 1.0 C3C B:HEM471 4.3 17.7 1.0 C2B B:HEM471 4.3 11.0 1.0 C3B B:HEM471 4.3 13.0 1.0 C3D B:HEM471 4.3 10.1 1.0 C2C B:HEM471 4.3 15.8 1.0 C2D B:HEM471 4.3 12.2 1.0 C2A B:HEM471 4.3 11.9 1.0 C3A B:HEM471 4.3 11.5 1.0 CE2 B:PHE87 4.4 12.7 1.0 C B:CYS400 4.8 12.2 1.0 O B:ALA264 4.8 19.8 1.0 N B:ILE401 4.9 11.8 1.0 N B:GLY402 4.9 14.4 1.0

D.C.Haines, A.Hegde, B.Chen, W.Zhao, M.Bondlela, J.M.Humphreys, D.A.Mullin, D.R.Tomchick, M.Machius, J.A.Peterson. A Single Active-Site Mutation of P450BM-3 Dramatically Enhances Substrate Binding and Rate of Product Formation. Biochemistry V. 50 8333 2011.
ISSN: ISSN 0006-2960
PubMed: 21875028
DOI: 10.1021/BI201099J