Atomistry » Iron » PDB 2j2m-2ksu » 2j4s
Atomistry »
  Iron »
    PDB 2j2m-2ksu »
      2j4s »

Iron in PDB 2j4s: P450 BM3 Heme Domain in Complex with Dmso

Enzymatic activity of P450 BM3 Heme Domain in Complex with Dmso

All present enzymatic activity of P450 BM3 Heme Domain in Complex with Dmso:
1.14.14.1;

Protein crystallography data

The structure of P450 BM3 Heme Domain in Complex with Dmso, PDB code: 2j4s was solved by J.Kuper, W.Tuck-Seng, D.Roccatano, M.Wilmanns, U.Schwaneberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.78 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.598, 88.297, 151.274, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.3

Other elements in 2j4s:

The structure of P450 BM3 Heme Domain in Complex with Dmso also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the P450 BM3 Heme Domain in Complex with Dmso (pdb code 2j4s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the P450 BM3 Heme Domain in Complex with Dmso, PDB code: 2j4s:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2j4s

Go back to Iron Binding Sites List in 2j4s
Iron binding site 1 out of 2 in the P450 BM3 Heme Domain in Complex with Dmso


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of P450 BM3 Heme Domain in Complex with Dmso within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1456

b:17.5
occ:1.00
FE A:HEM1456 0.0 17.5 1.0
NA A:HEM1456 2.0 17.6 1.0
NB A:HEM1456 2.0 16.9 1.0
NC A:HEM1456 2.1 16.2 1.0
ND A:HEM1456 2.2 16.1 1.0
SG A:CYS400 2.3 16.2 1.0
C4A A:HEM1456 3.0 13.4 1.0
C1B A:HEM1456 3.0 16.6 1.0
C1A A:HEM1456 3.1 15.7 1.0
C4B A:HEM1456 3.1 16.0 1.0
C4C A:HEM1456 3.1 15.8 1.0
C4D A:HEM1456 3.1 16.9 1.0
C1C A:HEM1456 3.1 16.6 1.0
C1D A:HEM1456 3.2 18.5 1.0
CB A:CYS400 3.3 15.6 1.0
CHB A:HEM1456 3.4 13.8 1.0
CHA A:HEM1456 3.4 15.5 1.0
CHC A:HEM1456 3.5 15.2 1.0
CHD A:HEM1456 3.5 16.7 1.0
O A:HOH2241 3.6 36.7 1.0
CA A:CYS400 3.9 16.3 1.0
O A:ALA264 4.2 20.7 1.0
C3A A:HEM1456 4.2 16.6 1.0
C2A A:HEM1456 4.3 14.7 1.0
C2B A:HEM1456 4.3 16.5 1.0
C3B A:HEM1456 4.3 16.9 1.0
C3C A:HEM1456 4.3 16.2 1.0
C2C A:HEM1456 4.4 16.9 1.0
C3D A:HEM1456 4.4 17.8 1.0
C2D A:HEM1456 4.4 16.6 1.0
CB A:ALA264 4.5 21.5 1.0
C A:CYS400 4.6 15.5 1.0
N A:GLY402 4.6 16.1 1.0
C A:ALA264 4.7 21.7 1.0
N A:ILE401 4.8 15.3 1.0

Iron binding site 2 out of 2 in 2j4s

Go back to Iron Binding Sites List in 2j4s
Iron binding site 2 out of 2 in the P450 BM3 Heme Domain in Complex with Dmso


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of P450 BM3 Heme Domain in Complex with Dmso within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1456

b:17.7
occ:1.00
FE B:HEM1456 0.0 17.7 1.0
NB B:HEM1456 2.0 16.1 1.0
NC B:HEM1456 2.0 15.0 1.0
NA B:HEM1456 2.1 16.6 1.0
ND B:HEM1456 2.1 16.8 1.0
SG B:CYS400 2.3 20.9 1.0
C4B B:HEM1456 3.0 15.9 1.0
C4C B:HEM1456 3.0 17.5 1.0
C1B B:HEM1456 3.0 17.6 1.0
C1C B:HEM1456 3.1 17.0 1.0
C1D B:HEM1456 3.1 18.1 1.0
C4D B:HEM1456 3.1 18.7 1.0
C4A B:HEM1456 3.1 16.4 1.0
C1A B:HEM1456 3.1 17.4 1.0
CB B:CYS400 3.3 20.8 1.0
CHD B:HEM1456 3.4 17.7 1.0
CHC B:HEM1456 3.4 15.9 1.0
CHB B:HEM1456 3.4 15.4 1.0
CHA B:HEM1456 3.4 17.0 1.0
CA B:CYS400 3.9 20.0 1.0
O B:HOH2206 4.0 34.3 1.0
O B:ALA264 4.2 29.4 1.0
C3B B:HEM1456 4.2 15.9 1.0
C2B B:HEM1456 4.3 15.2 1.0
C3C B:HEM1456 4.3 17.8 1.0
C2C B:HEM1456 4.3 15.4 1.0
C3D B:HEM1456 4.3 18.6 1.0
C2D B:HEM1456 4.3 17.5 1.0
C3A B:HEM1456 4.3 15.1 1.0
C2A B:HEM1456 4.3 17.2 1.0
CB B:ALA264 4.5 28.6 1.0
N B:GLY402 4.6 20.8 1.0
C B:ALA264 4.7 29.1 1.0
C B:CYS400 4.7 20.1 1.0
N B:ILE401 4.9 20.4 1.0

Reference:

J.Kuper, T.S.Wong, D.Roccatano, M.Wilmanns, U.Schwaneberg. Understanding A Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3. J.Am.Chem.Soc. V. 129 5786 2007.
ISSN: ISSN 0002-7863
PubMed: 17429965
DOI: 10.1021/JA067036X
Page generated: Sun Dec 13 14:47:35 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy