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

Enzymatic activity of 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;

Protein crystallography data

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

Iron Binding Sites:

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 2hpd

Go back to Iron Binding Sites List in 2hpd
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 2hpd

Go back to Iron Binding Sites List in 2hpd
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

Reference:

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
Page generated: Sun Dec 13 14:46:26 2020

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