Iron in PDB 7czi: Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine

Enzymatic activity of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine

All present enzymatic activity of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine, PDB code: 7czi was solved by J.K.Stanfield, H.Sugimoto, O.Shoji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.70 / 1.64
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.752, 128.591, 148.871, 90, 90, 90
R / Rfree (%) 19 / 21.5

Other elements in 7czi:

The structure of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine (pdb code 7czi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine, PDB code: 7czi:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7czi

Go back to Iron Binding Sites List in 7czi
Iron binding site 1 out of 4 in the Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:14.2
occ:0.50
FE A:HEM501 0.0 14.2 0.5
FE A:HEM501 0.1 14.8 0.5
ND A:HEM501 1.9 13.8 0.5
NA A:HEM501 2.0 14.4 0.5
ND A:HEM501 2.0 14.5 0.5
NB A:HEM501 2.0 13.3 0.5
NA A:HEM501 2.1 13.7 0.5
NB A:HEM501 2.1 14.6 0.5
NC A:HEM501 2.1 13.8 0.5
NC A:HEM501 2.1 14.1 0.5
SG A:CYS400 2.3 15.2 1.0
S A:DMS503 2.3 22.6 1.0
C1D A:HEM501 2.9 13.7 0.5
C4D A:HEM501 3.0 13.1 0.5
C4A A:HEM501 3.0 14.2 0.5
C4D A:HEM501 3.0 13.4 0.5
C1B A:HEM501 3.0 15.1 0.5
C1A A:HEM501 3.0 13.5 0.5
C4C A:HEM501 3.0 14.3 0.5
C1D A:HEM501 3.0 14.2 0.5
C4B A:HEM501 3.0 14.3 0.5
C1A A:HEM501 3.0 12.9 0.5
C1B A:HEM501 3.0 14.5 0.5
C4B A:HEM501 3.1 14.6 0.5
C4C A:HEM501 3.1 15.5 0.5
C1C A:HEM501 3.1 13.8 0.5
C4A A:HEM501 3.1 13.4 0.5
C1C A:HEM501 3.1 15.0 0.5
O A:DMS503 3.2 25.1 1.0
CHD A:HEM501 3.3 14.3 0.5
CHB A:HEM501 3.4 15.0 0.5
CHA A:HEM501 3.4 13.6 0.5
CHA A:HEM501 3.4 13.0 0.5
CB A:CYS400 3.4 14.5 1.0
CHD A:HEM501 3.4 14.4 0.5
CHC A:HEM501 3.5 14.0 0.5
CHB A:HEM501 3.5 13.5 0.5
CHC A:HEM501 3.5 14.8 0.5
C2 A:DMS503 3.6 22.1 1.0
C1 A:DMS503 3.6 25.3 1.0
CA A:CYS400 4.0 13.5 1.0
C3A A:HEM501 4.2 14.8 0.5
C2D A:HEM501 4.2 14.3 0.5
C2A A:HEM501 4.2 13.9 0.5
C3D A:HEM501 4.2 13.6 0.5
C3C A:HEM501 4.3 14.4 0.5
C2B A:HEM501 4.3 14.8 0.5
C2B A:HEM501 4.3 14.9 0.5
C2C A:HEM501 4.3 13.9 0.5
C2A A:HEM501 4.3 13.8 0.5
C2D A:HEM501 4.3 14.4 0.5
C3D A:HEM501 4.3 14.5 0.5
C3B A:HEM501 4.3 14.6 0.5
C3A A:HEM501 4.3 13.8 0.5
C3B A:HEM501 4.3 15.2 0.5
C3C A:HEM501 4.3 16.6 0.5
C2C A:HEM501 4.3 15.7 0.5
N A:GLY402 4.8 14.4 1.0
C A:CYS400 4.8 14.6 1.0
N A:ILE401 5.0 13.9 1.0
CB A:ALA264 5.0 19.0 1.0

Iron binding site 2 out of 4 in 7czi

Go back to Iron Binding Sites List in 7czi
Iron binding site 2 out of 4 in the Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:14.8
occ:0.50
FE A:HEM501 0.0 14.8 0.5
FE A:HEM501 0.1 14.2 0.5
ND A:HEM501 2.0 14.5 0.5
NB A:HEM501 2.0 13.3 0.5
ND A:HEM501 2.0 13.8 0.5
NA A:HEM501 2.0 13.7 0.5
NC A:HEM501 2.0 14.1 0.5
NA A:HEM501 2.0 14.4 0.5
NB A:HEM501 2.1 14.6 0.5
NC A:HEM501 2.1 13.8 0.5
SG A:CYS400 2.3 15.2 1.0
S A:DMS503 2.4 22.6 1.0
C1D A:HEM501 3.0 14.2 0.5
C1B A:HEM501 3.0 14.5 0.5
C4D A:HEM501 3.0 13.4 0.5
C4B A:HEM501 3.0 14.3 0.5
C1D A:HEM501 3.0 13.7 0.5
C4C A:HEM501 3.0 15.5 0.5
C4D A:HEM501 3.0 13.1 0.5
C1A A:HEM501 3.0 12.9 0.5
C4A A:HEM501 3.1 13.4 0.5
C1A A:HEM501 3.1 13.5 0.5
C4B A:HEM501 3.1 14.6 0.5
C4A A:HEM501 3.1 14.2 0.5
C1B A:HEM501 3.1 15.1 0.5
C4C A:HEM501 3.1 14.3 0.5
C1C A:HEM501 3.1 15.0 0.5
C1C A:HEM501 3.1 13.8 0.5
O A:DMS503 3.2 25.1 1.0
CB A:CYS400 3.4 14.5 1.0
CHD A:HEM501 3.4 14.4 0.5
CHB A:HEM501 3.4 13.5 0.5
CHA A:HEM501 3.4 13.6 0.5
CHA A:HEM501 3.4 13.0 0.5
CHD A:HEM501 3.4 14.3 0.5
CHC A:HEM501 3.4 14.0 0.5
CHB A:HEM501 3.4 15.0 0.5
CHC A:HEM501 3.5 14.8 0.5
C2 A:DMS503 3.6 22.1 1.0
C1 A:DMS503 3.7 25.3 1.0
CA A:CYS400 4.0 13.5 1.0
C2B A:HEM501 4.2 14.9 0.5
C3C A:HEM501 4.2 16.6 0.5
C3B A:HEM501 4.2 14.6 0.5
C2D A:HEM501 4.2 14.4 0.5
C3A A:HEM501 4.3 13.8 0.5
C3A A:HEM501 4.3 14.8 0.5
C2A A:HEM501 4.3 13.8 0.5
C2D A:HEM501 4.3 14.3 0.5
C2A A:HEM501 4.3 13.9 0.5
C2C A:HEM501 4.3 15.7 0.5
C3D A:HEM501 4.3 14.5 0.5
C3D A:HEM501 4.3 13.6 0.5
C2C A:HEM501 4.3 13.9 0.5
C3C A:HEM501 4.3 14.4 0.5
C2B A:HEM501 4.3 14.8 0.5
C3B A:HEM501 4.3 15.2 0.5
C A:CYS400 4.8 14.6 1.0
N A:GLY402 4.8 14.4 1.0
N A:ILE401 5.0 13.9 1.0

Iron binding site 3 out of 4 in 7czi

Go back to Iron Binding Sites List in 7czi
Iron binding site 3 out of 4 in the Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe502

b:16.2
occ:0.50
FE B:HEM502 0.0 16.2 0.5
FE B:HEM502 0.0 16.0 0.5
ND B:HEM502 1.9 15.8 0.5
ND B:HEM502 1.9 16.5 0.5
NA B:HEM502 2.0 15.4 0.5
NA B:HEM502 2.0 16.6 0.5
NC B:HEM502 2.1 16.4 0.5
NB B:HEM502 2.1 15.8 0.5
NC B:HEM502 2.1 15.5 0.5
NB B:HEM502 2.1 15.8 0.5
SG B:CYS400 2.3 17.2 1.0
S B:DMS504 2.4 27.1 1.0
C1D B:HEM502 2.9 16.1 0.5
C1D B:HEM502 2.9 16.2 0.5
C4D B:HEM502 3.0 16.7 0.5
C4D B:HEM502 3.0 16.6 0.5
C4C B:HEM502 3.0 16.2 0.5
C1A B:HEM502 3.0 16.6 0.5
C4C B:HEM502 3.0 16.6 0.5
C4B B:HEM502 3.0 16.0 0.5
C1B B:HEM502 3.0 16.4 0.5
C4B B:HEM502 3.1 15.6 0.5
C4A B:HEM502 3.1 15.7 0.5
C1A B:HEM502 3.1 16.6 0.5
C1B B:HEM502 3.1 15.4 0.5
C4A B:HEM502 3.1 16.2 0.5
C1C B:HEM502 3.1 16.1 0.5
C1C B:HEM502 3.1 15.9 0.5
O B:DMS504 3.3 32.8 1.0
CB B:CYS400 3.4 15.4 1.0
CHD B:HEM502 3.4 16.4 0.5
CHD B:HEM502 3.4 16.8 0.5
CHA B:HEM502 3.4 15.7 0.5
CHA B:HEM502 3.4 15.7 0.5
CHB B:HEM502 3.5 16.2 0.5
CHC B:HEM502 3.5 17.2 0.5
CHC B:HEM502 3.5 16.8 0.5
CHB B:HEM502 3.5 16.2 0.5
C1 B:DMS504 3.6 30.9 1.0
C2 B:DMS504 3.7 25.9 1.0
CA B:CYS400 4.0 16.2 1.0
C2D B:HEM502 4.2 17.0 0.5
C3D B:HEM502 4.2 16.1 0.5
C3A B:HEM502 4.2 16.8 0.5
C3C B:HEM502 4.2 17.3 0.5
C2A B:HEM502 4.2 15.9 0.5
C2D B:HEM502 4.2 17.2 0.5
C3C B:HEM502 4.3 16.9 0.5
C2C B:HEM502 4.3 16.8 0.5
C2B B:HEM502 4.3 15.9 0.5
C3D B:HEM502 4.3 17.0 0.5
C2C B:HEM502 4.3 16.1 0.5
C3A B:HEM502 4.3 17.1 0.5
C2B B:HEM502 4.3 15.6 0.5
C3B B:HEM502 4.3 16.0 0.5
C2A B:HEM502 4.3 16.9 0.5
C3B B:HEM502 4.3 16.1 0.5
N B:GLY402 4.8 16.8 1.0
C B:CYS400 4.8 16.0 1.0
N B:ILE401 5.0 16.4 1.0

Iron binding site 4 out of 4 in 7czi

Go back to Iron Binding Sites List in 7czi
Iron binding site 4 out of 4 in the Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe502

b:16.0
occ:0.50
FE B:HEM502 0.0 16.0 0.5
FE B:HEM502 0.0 16.2 0.5
ND B:HEM502 1.9 16.5 0.5
ND B:HEM502 1.9 15.8 0.5
NA B:HEM502 2.0 16.6 0.5
NA B:HEM502 2.0 15.4 0.5
NB B:HEM502 2.1 15.8 0.5
NC B:HEM502 2.1 15.5 0.5
NC B:HEM502 2.1 16.4 0.5
NB B:HEM502 2.1 15.8 0.5
SG B:CYS400 2.3 17.2 1.0
S B:DMS504 2.4 27.1 1.0
C1D B:HEM502 2.9 16.2 0.5
C1D B:HEM502 3.0 16.1 0.5
C4D B:HEM502 3.0 16.7 0.5
C4D B:HEM502 3.0 16.6 0.5
C4C B:HEM502 3.0 16.6 0.5
C4B B:HEM502 3.0 16.0 0.5
C1B B:HEM502 3.0 16.4 0.5
C4C B:HEM502 3.0 16.2 0.5
C1A B:HEM502 3.0 16.6 0.5
C4B B:HEM502 3.0 15.6 0.5
C4A B:HEM502 3.1 16.2 0.5
C1A B:HEM502 3.1 16.6 0.5
C1B B:HEM502 3.1 15.4 0.5
C4A B:HEM502 3.1 15.7 0.5
C1C B:HEM502 3.1 16.1 0.5
C1C B:HEM502 3.1 15.9 0.5
O B:DMS504 3.3 32.8 1.0
CB B:CYS400 3.3 15.4 1.0
CHD B:HEM502 3.4 16.4 0.5
CHD B:HEM502 3.4 16.8 0.5
CHB B:HEM502 3.4 16.2 0.5
CHA B:HEM502 3.4 15.7 0.5
CHC B:HEM502 3.4 17.2 0.5
CHA B:HEM502 3.5 15.7 0.5
CHC B:HEM502 3.5 16.8 0.5
CHB B:HEM502 3.5 16.2 0.5
C1 B:DMS504 3.6 30.9 1.0
C2 B:DMS504 3.7 25.9 1.0
CA B:CYS400 4.0 16.2 1.0
C2D B:HEM502 4.2 17.0 0.5
C2D B:HEM502 4.2 17.2 0.5
C3C B:HEM502 4.2 16.9 0.5
C3C B:HEM502 4.2 17.3 0.5
C2B B:HEM502 4.2 15.9 0.5
C3D B:HEM502 4.2 16.1 0.5
C3A B:HEM502 4.3 16.8 0.5
C2A B:HEM502 4.3 15.9 0.5
C2C B:HEM502 4.3 16.1 0.5
C2C B:HEM502 4.3 16.8 0.5
C3D B:HEM502 4.3 17.0 0.5
C3B B:HEM502 4.3 16.0 0.5
C3A B:HEM502 4.3 17.1 0.5
C2B B:HEM502 4.3 15.6 0.5
C2A B:HEM502 4.3 16.9 0.5
C3B B:HEM502 4.3 16.1 0.5
N B:GLY402 4.8 16.8 1.0
C B:CYS400 4.8 16.0 1.0
N B:ILE401 5.0 16.4 1.0

Reference:

O.Shoji, J.K.Stanfield. Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)Phenoxy]}Acetoyl-L-Phenylalanine at 1.64 Angstrom Resolution To Be Published.
Page generated: Fri Sep 24 14:04:10 2021

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