Atomistry » Iron » PDB 3na1-3nmj » 3nc6
Atomistry »
  Iron »
    PDB 3na1-3nmj »
      3nc6 »

Iron in PDB 3nc6: CYP134A1 1-Phenylimidazole Bound Structure

Protein crystallography data

The structure of CYP134A1 1-Phenylimidazole Bound Structure, PDB code: 3nc6 was solved by M.J.Cryle, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.84 / 3.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.950, 106.900, 142.930, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 27.8

Other elements in 3nc6:

The structure of CYP134A1 1-Phenylimidazole Bound Structure also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the CYP134A1 1-Phenylimidazole Bound Structure (pdb code 3nc6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the CYP134A1 1-Phenylimidazole Bound Structure, PDB code: 3nc6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3nc6

Go back to Iron Binding Sites List in 3nc6
Iron binding site 1 out of 2 in the CYP134A1 1-Phenylimidazole Bound Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CYP134A1 1-Phenylimidazole Bound Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe406

b:24.9
occ:1.00
FE A:HEM406 0.0 24.9 1.0
ND A:HEM406 2.0 21.6 1.0
NA A:HEM406 2.1 19.2 1.0
NC A:HEM406 2.1 18.6 1.0
NB A:HEM406 2.1 19.6 1.0
SG A:CYS353 2.5 58.8 1.0
C4D A:HEM406 3.0 24.2 1.0
C1A A:HEM406 3.0 19.9 1.0
C1D A:HEM406 3.1 22.7 1.0
C1C A:HEM406 3.1 19.3 1.0
C4C A:HEM406 3.1 19.1 1.0
C4B A:HEM406 3.1 19.7 1.0
C4A A:HEM406 3.1 19.4 1.0
C1B A:HEM406 3.1 19.6 1.0
CB A:CYS353 3.2 58.6 1.0
CHA A:HEM406 3.4 21.8 1.0
CHD A:HEM406 3.4 20.6 1.0
CHC A:HEM406 3.4 18.5 1.0
CHB A:HEM406 3.5 18.3 1.0
N3 A:PIW407 3.9 63.8 1.0
CA A:CYS353 4.1 62.9 1.0
O A:ALA233 4.2 47.5 1.0
C2A A:HEM406 4.3 21.3 1.0
C3D A:HEM406 4.3 27.2 1.0
C2C A:HEM406 4.3 19.6 1.0
C2D A:HEM406 4.3 25.3 1.0
C3C A:HEM406 4.3 19.8 1.0
C3A A:HEM406 4.3 19.9 1.0
C3B A:HEM406 4.3 20.4 1.0
C2B A:HEM406 4.3 20.0 1.0
C4 A:PIW407 4.5 63.8 1.0
CB A:ALA233 4.6 51.7 1.0
C A:CYS353 4.8 65.2 1.0
C A:ALA233 4.8 47.9 1.0
C2 A:PIW407 4.9 64.7 1.0

Iron binding site 2 out of 2 in 3nc6

Go back to Iron Binding Sites List in 3nc6
Iron binding site 2 out of 2 in the CYP134A1 1-Phenylimidazole Bound Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CYP134A1 1-Phenylimidazole Bound Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe406

b:21.6
occ:1.00
FE B:HEM406 0.0 21.6 1.0
NB B:HEM406 2.0 18.5 1.0
ND B:HEM406 2.0 18.9 1.0
NA B:HEM406 2.0 17.9 1.0
NC B:HEM406 2.0 17.0 1.0
SG B:CYS353 2.2 36.9 1.0
C4D B:HEM406 3.0 21.9 1.0
C1D B:HEM406 3.0 20.9 1.0
C1B B:HEM406 3.0 19.0 1.0
C4B B:HEM406 3.0 19.4 1.0
C1A B:HEM406 3.0 19.2 1.0
C4C B:HEM406 3.0 16.5 1.0
C4A B:HEM406 3.1 18.0 1.0
C1C B:HEM406 3.1 17.6 1.0
CB B:CYS353 3.2 36.9 1.0
CHA B:HEM406 3.4 20.7 1.0
CHD B:HEM406 3.4 18.3 1.0
CHB B:HEM406 3.4 17.9 1.0
CHC B:HEM406 3.4 18.3 1.0
N3 B:PIW407 4.1 47.0 1.0
CA B:CYS353 4.2 39.3 1.0
C2B B:HEM406 4.2 19.1 1.0
C2D B:HEM406 4.2 22.8 1.0
C3B B:HEM406 4.2 20.2 1.0
C3D B:HEM406 4.2 25.6 1.0
C3C B:HEM406 4.3 16.6 1.0
C2A B:HEM406 4.3 19.1 1.0
C2C B:HEM406 4.3 16.7 1.0
C3A B:HEM406 4.3 17.6 1.0
CB B:ALA233 4.6 40.8 1.0
O B:ALA233 4.7 39.9 1.0
C4 B:PIW407 4.9 46.3 1.0
C B:CYS353 4.9 40.2 1.0

Reference:

M.J.Cryle, S.G.Bell, I.Schlichting. Structural and Biochemical Characterization of the Cytochrome P450 Cypx (CYP134A1) From Bacillus Subtilis: A Cyclo-L-Leucyl-L-Leucyl Dipeptide Oxidase. Biochemistry V. 49 7282 2010.
ISSN: ISSN 0006-2960
PubMed: 20690619
DOI: 10.1021/BI100910Y
Page generated: Sun Dec 13 15:14:04 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy