Iron in PDB 2hpd: Crystal Structure of Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S

All present enzymatic activity of Crystal Structure of Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S:
1.14.14.1;

The structure of Crystal Structure of Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S, PDB code: 2hpd was solved by K.G.Ravichandran, S.S.Boddupalli, C.A.Hasemann, J.A.Peterson, J.Deisenhofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.400, 154.000, 62.200, 90.00, 94.70, 90.00
R / Rfree (%)	16.7 / n/a

The binding sites of Iron atom in the Crystal Structure of Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S (pdb code 2hpd). 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 Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S, PDB code: 2hpd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S


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 Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe472 b:12.1 occ:1.00 FE A:HEM472 0.0 12.1 1.0 NC A:HEM472 1.9 5.3 1.0 NA A:HEM472 2.0 9.2 1.0 NB A:HEM472 2.0 11.0 1.0 ND A:HEM472 2.0 9.5 1.0 SG A:CYS400 2.0 4.3 1.0 O A:HOH3049 2.3 14.9 1.0 C4C A:HEM472 3.0 4.5 1.0 C1C A:HEM472 3.0 7.1 1.0 C4B A:HEM472 3.0 9.0 1.0 C1D A:HEM472 3.0 10.1 1.0 C4A A:HEM472 3.0 11.8 1.0 C1A A:HEM472 3.0 10.7 1.0 C4D A:HEM472 3.1 7.5 1.0 C1B A:HEM472 3.1 9.6 1.0 CB A:CYS400 3.2 12.2 1.0 CHD A:HEM472 3.3 5.4 1.0 CHC A:HEM472 3.3 7.8 1.0 CHB A:HEM472 3.4 7.8 1.0 CHA A:HEM472 3.4 6.1 1.0 CA A:CYS400 3.9 9.5 1.0 C3C A:HEM472 4.2 5.4 1.0 C2C A:HEM472 4.2 7.2 1.0 C2A A:HEM472 4.2 8.4 1.0 C3A A:HEM472 4.3 9.7 1.0 C3B A:HEM472 4.3 10.2 1.0 C2D A:HEM472 4.3 9.0 1.0 C3D A:HEM472 4.3 6.0 1.0 C2B A:HEM472 4.3 6.7 1.0 O A:HOH1166 4.4 16.9 1.0 O A:ALA264 4.4 9.7 1.0 C A:CYS400 4.8 8.5 1.0 CB A:ALA264 4.8 6.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S


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 Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe472 b:16.5 occ:1.00 FE B:HEM472 0.0 16.5 1.0 NA B:HEM472 2.0 16.9 1.0 ND B:HEM472 2.0 18.5 1.0 NC B:HEM472 2.0 17.1 1.0 NB B:HEM472 2.0 18.8 1.0 SG B:CYS400 2.1 18.2 1.0 O B:HOH3050 2.2 15.3 1.0 C4C B:HEM472 3.0 16.5 1.0 C1D B:HEM472 3.0 16.3 1.0 C1A B:HEM472 3.0 18.5 1.0 C4A B:HEM472 3.0 16.7 1.0 C4D B:HEM472 3.0 16.6 1.0 C1C B:HEM472 3.1 15.3 1.0 C4B B:HEM472 3.1 14.6 1.0 CB B:CYS400 3.1 18.9 1.0 C1B B:HEM472 3.1 15.9 1.0 CHD B:HEM472 3.4 14.8 1.0 CHA B:HEM472 3.4 17.2 1.0 CHC B:HEM472 3.4 14.2 1.0 CHB B:HEM472 3.4 11.3 1.0 CA B:CYS400 4.1 15.1 1.0 C3A B:HEM472 4.3 15.7 1.0 C3C B:HEM472 4.3 15.8 1.0 C2A B:HEM472 4.3 14.7 1.0 C3D B:HEM472 4.3 15.4 1.0 C2D B:HEM472 4.3 19.1 1.0 C2C B:HEM472 4.3 15.3 1.0 C3B B:HEM472 4.3 15.1 1.0 C2B B:HEM472 4.4 15.3 1.0 O B:ALA264 4.6 16.1 1.0 C B:CYS400 4.8 15.5 1.0 N B:GLY402 4.8 16.4 1.0 CB B:ALA264 5.0 10.0 1.0 CA B:GLY402 5.0 16.8 1.0

K.G.Ravichandran, S.S.Boddupalli, C.A.Hasermann, J.A.Peterson, J.Deisenhofer. Crystal Structure of Hemoprotein Domain of P450BM-3, A Prototype For Microsomal P450'S. Science V. 261 731 1993.
ISSN: ISSN 0036-8075
PubMed: 8342039