Atomistry » Iron » PDB 6ppu-6q9k » 6pqw
Atomistry »
  Iron »
    PDB 6ppu-6q9k »
      6pqw »

Iron in PDB 6pqw: The Crystal Structure of 3-Methylbenzoate-Bound CYP199A4

Protein crystallography data

The structure of The Crystal Structure of 3-Methylbenzoate-Bound CYP199A4, PDB code: 6pqw was solved by M.N.Podgorski, J.B.Bruning, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.97 / 1.68
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.449, 51.235, 78.955, 90.00, 92.16, 90.00
R / Rfree (%) 14.4 / 18.8

Other elements in 6pqw:

The structure of The Crystal Structure of 3-Methylbenzoate-Bound CYP199A4 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the The Crystal Structure of 3-Methylbenzoate-Bound CYP199A4 (pdb code 6pqw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the The Crystal Structure of 3-Methylbenzoate-Bound CYP199A4, PDB code: 6pqw:

Iron binding site 1 out of 1 in 6pqw

Go back to Iron Binding Sites List in 6pqw
Iron binding site 1 out of 1 in the The Crystal Structure of 3-Methylbenzoate-Bound CYP199A4


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of 3-Methylbenzoate-Bound CYP199A4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:11.1
occ:1.00
FE A:HEM502 0.0 11.1 1.0
ND A:HEM502 2.0 8.8 1.0
NC A:HEM502 2.0 11.7 1.0
NA A:HEM502 2.1 10.1 1.0
NB A:HEM502 2.1 10.8 1.0
SG A:CYS358 2.4 11.4 1.0
O A:HOH881 2.5 10.8 0.2
C1C A:HEM502 3.0 10.3 1.0
C4B A:HEM502 3.0 10.1 1.0
C4D A:HEM502 3.0 9.3 1.0
C1D A:HEM502 3.1 10.5 1.0
C1A A:HEM502 3.1 13.0 1.0
C4C A:HEM502 3.1 12.8 1.0
C4A A:HEM502 3.1 11.6 1.0
C1B A:HEM502 3.1 9.3 1.0
CB A:CYS358 3.3 12.3 1.0
CHC A:HEM502 3.4 8.0 1.0
CHA A:HEM502 3.4 10.4 1.0
CHD A:HEM502 3.5 11.0 1.0
CHB A:HEM502 3.5 10.7 1.0
CA A:CYS358 4.0 10.8 1.0
C2C A:HEM502 4.2 13.3 1.0
C2D A:HEM502 4.3 8.5 1.0
C3C A:HEM502 4.3 12.3 1.0
C3B A:HEM502 4.3 9.8 1.0
C3D A:HEM502 4.3 11.7 1.0
C2A A:HEM502 4.3 12.6 1.0
C3A A:HEM502 4.3 13.6 1.0
C2B A:HEM502 4.3 8.7 1.0
C01 A:OVV501 4.4 14.8 0.9
C A:CYS358 4.7 11.8 1.0
N A:GLY360 4.7 12.0 1.0
CB A:ALA248 4.8 12.9 1.0
N A:VAL359 4.9 11.2 1.0

Reference:

M.N.Podgorski, T.Coleman, R.R.Chao, J.J.De Voss, J.B.Bruning, S.G.Bell. Investigation of the Requirements For Efficient and Selective Cytochrome P450 Monooxygenase Catalysis Across Different Reactions. J.Inorg.Biochem. V. 203 10913 2019.
ISSN: ISSN 0162-0134
PubMed: 31759265
DOI: 10.1016/J.JINORGBIO.2019.110913
Page generated: Wed Aug 7 06:43:01 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy