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Iron in PDB 1bu7: Cryogenic Structure of Cytochrome P450BM-3 Heme Domain

Enzymatic activity of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain

All present enzymatic activity of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain:
1.14.14.1;

Protein crystallography data

The structure of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain, PDB code: 1bu7 was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.380, 151.900, 62.770, 90.00, 96.02, 90.00
R / Rfree (%) 19.7 / 25.1

Iron Binding Sites:

The binding sites of Iron atom in the Cryogenic Structure of Cytochrome P450BM-3 Heme Domain (pdb code 1bu7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cryogenic Structure of Cytochrome P450BM-3 Heme Domain, PDB code: 1bu7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1bu7

Go back to Iron Binding Sites List in 1bu7
Iron binding site 1 out of 2 in the Cryogenic Structure of Cytochrome P450BM-3 Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe999

b:12.1
occ:1.00
FE A:HEM999 0.0 12.1 1.0
ND A:HEM999 2.0 10.0 1.0
NB A:HEM999 2.0 11.6 1.0
NC A:HEM999 2.0 13.1 1.0
NA A:HEM999 2.0 11.9 1.0
SG A:CYS400 2.4 14.2 1.0
O A:HOH1020 2.6 24.3 1.0
C4B A:HEM999 3.0 11.2 1.0
C4C A:HEM999 3.0 14.2 1.0
C1D A:HEM999 3.0 14.2 1.0
C4A A:HEM999 3.0 11.9 1.0
C1B A:HEM999 3.0 14.6 1.0
C4D A:HEM999 3.0 13.9 1.0
C1C A:HEM999 3.0 13.0 1.0
C1A A:HEM999 3.0 11.9 1.0
CB A:CYS400 3.3 11.4 1.0
CHD A:HEM999 3.4 12.7 1.0
CHC A:HEM999 3.4 12.8 1.0
CHB A:HEM999 3.4 15.9 1.0
CHA A:HEM999 3.4 14.2 1.0
CA A:CYS400 4.1 12.6 1.0
C3B A:HEM999 4.3 12.0 1.0
C3C A:HEM999 4.3 14.3 1.0
C2D A:HEM999 4.3 10.8 1.0
C3D A:HEM999 4.3 14.1 1.0
C2B A:HEM999 4.3 9.9 1.0
C2C A:HEM999 4.3 12.5 1.0
C3A A:HEM999 4.3 14.6 1.0
C2A A:HEM999 4.3 14.8 1.0
O A:ALA264 4.3 37.2 1.0
N A:GLY402 4.8 12.7 1.0
C A:CYS400 4.8 11.7 1.0
CB A:ALA264 4.9 35.2 1.0
C A:ALA264 4.9 36.0 1.0
N A:ILE401 4.9 11.6 1.0

Iron binding site 2 out of 2 in 1bu7

Go back to Iron Binding Sites List in 1bu7
Iron binding site 2 out of 2 in the Cryogenic Structure of Cytochrome P450BM-3 Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1000

b:13.0
occ:1.00
FE B:HEM1000 0.0 13.0 1.0
NB B:HEM1000 2.0 13.3 1.0
NA B:HEM1000 2.0 12.5 1.0
NC B:HEM1000 2.0 14.9 1.0
ND B:HEM1000 2.0 15.2 1.0
SG B:CYS400 2.3 14.5 1.0
O B:HOH1380 2.7 20.1 1.0
C4A B:HEM1000 3.0 15.3 1.0
C1C B:HEM1000 3.0 16.5 1.0
C1B B:HEM1000 3.0 15.6 1.0
C4B B:HEM1000 3.0 17.6 1.0
C1D B:HEM1000 3.0 19.0 1.0
C4C B:HEM1000 3.0 15.7 1.0
C4D B:HEM1000 3.0 15.7 1.0
C1A B:HEM1000 3.1 15.9 1.0
CB B:CYS400 3.3 14.8 1.0
CHB B:HEM1000 3.4 12.9 1.0
CHD B:HEM1000 3.4 20.1 1.0
CHC B:HEM1000 3.4 14.2 1.0
CHA B:HEM1000 3.5 17.3 1.0
CA B:CYS400 4.0 14.7 1.0
O B:ALA264 4.2 20.8 1.0
C3A B:HEM1000 4.2 16.8 1.0
C3B B:HEM1000 4.3 12.8 1.0
C2B B:HEM1000 4.3 15.1 1.0
C3C B:HEM1000 4.3 18.2 1.0
C2C B:HEM1000 4.3 17.3 1.0
C3D B:HEM1000 4.3 15.6 1.0
C2D B:HEM1000 4.3 12.3 1.0
C2A B:HEM1000 4.3 14.4 1.0
CB B:ALA264 4.7 19.1 1.0
N B:GLY402 4.8 12.8 1.0
C B:CYS400 4.8 9.1 1.0
C B:ALA264 4.9 23.5 1.0
N B:ILE401 5.0 12.9 1.0

Reference:

I.F.Sevrioukova, H.Li, H.Zhang, J.A.Peterson, T.L.Poulos. Structure of A Cytochrome P450-Redox Partner Electron-Transfer Complex. Proc.Natl.Acad.Sci.Usa V. 96 1863 1999.
ISSN: ISSN 0027-8424
PubMed: 10051560
DOI: 10.1073/PNAS.96.5.1863
Page generated: Sun Dec 13 14:08:11 2020

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