Atomistry » Iron » PDB 7cjj-7czi » 7ckn
Atomistry »
  Iron »
    PDB 7cjj-7czi »
      7ckn »

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

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

All present enzymatic activity of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine in Complex with Isopropylamine:
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 in Complex with Isopropylamine, PDB code: 7ckn 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) 48.60 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.666, 128.425, 148.694, 90, 90, 90
R / Rfree (%) 14.9 / 19.9

Other elements in 7ckn:

The structure of Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy) Phenoxy]}Acetoyl-L-Phenylalanine in Complex with Isopropylamine 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 in Complex with Isopropylamine (pdb code 7ckn). 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 in Complex with Isopropylamine, PDB code: 7ckn:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7ckn

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


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 in Complex with Isopropylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:15.9
occ:0.50
FE A:HEM501 0.0 15.9 0.5
FE A:HEM501 0.0 15.6 0.5
ND A:HEM501 1.9 16.5 0.5
ND A:HEM501 1.9 15.2 0.5
NA A:HEM501 2.0 14.2 0.5
NA A:HEM501 2.0 15.8 0.5
NC A:HEM501 2.0 16.0 0.5
NC A:HEM501 2.1 14.6 0.5
NB A:HEM501 2.1 16.2 0.5
NB A:HEM501 2.1 15.6 0.5
N1 A:G4O503 2.1 17.7 1.0
SG A:CYS400 2.2 17.4 1.0
C1D A:HEM501 2.9 14.9 0.5
C1D A:HEM501 3.0 14.4 0.5
C4D A:HEM501 3.0 16.2 0.5
C4C A:HEM501 3.0 15.0 0.5
C4C A:HEM501 3.0 14.6 0.5
C1A A:HEM501 3.0 15.5 0.5
C4D A:HEM501 3.0 16.2 0.5
C4A A:HEM501 3.0 14.2 0.5
C1A A:HEM501 3.0 15.5 0.5
C4B A:HEM501 3.0 16.4 0.5
C4A A:HEM501 3.1 14.0 0.5
C1B A:HEM501 3.1 15.2 0.5
C1C A:HEM501 3.1 16.9 0.5
C1C A:HEM501 3.1 15.4 0.5
C4B A:HEM501 3.1 16.1 0.5
C1B A:HEM501 3.1 14.6 0.5
C2 A:G4O503 3.3 16.6 1.0
CHD A:HEM501 3.4 15.6 0.5
CHD A:HEM501 3.4 16.9 0.5
CB A:CYS400 3.4 17.0 1.0
CHA A:HEM501 3.4 15.5 0.5
CHA A:HEM501 3.4 15.1 0.5
CHB A:HEM501 3.4 16.6 0.5
CHB A:HEM501 3.4 15.0 0.5
CHC A:HEM501 3.4 16.1 0.5
CHC A:HEM501 3.5 15.8 0.5
C3 A:G4O503 4.0 19.3 1.0
CA A:CYS400 4.0 15.6 1.0
C3C A:HEM501 4.2 16.4 0.5
C3A A:HEM501 4.2 14.9 0.5
C2A A:HEM501 4.2 16.2 0.5
C3C A:HEM501 4.2 17.0 0.5
C2C A:HEM501 4.2 14.8 0.5
C2A A:HEM501 4.2 16.4 0.5
C2D A:HEM501 4.2 15.8 0.5
C2C A:HEM501 4.2 17.8 0.5
C3D A:HEM501 4.2 16.7 0.5
C3A A:HEM501 4.2 15.1 0.5
C3D A:HEM501 4.2 17.1 0.5
C2D A:HEM501 4.3 15.6 0.5
C2B A:HEM501 4.3 16.6 0.5
C3B A:HEM501 4.3 15.7 0.5
C2B A:HEM501 4.3 16.2 0.5
C3B A:HEM501 4.4 15.7 0.5
C1 A:G4O503 4.4 21.2 1.0
N A:GLY402 4.8 18.1 1.0
C A:CYS400 4.8 15.7 1.0
N A:ILE401 4.9 16.0 1.0

Iron binding site 2 out of 4 in 7ckn

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


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 in Complex with Isopropylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:15.6
occ:0.50
FE A:HEM501 0.0 15.6 0.5
FE A:HEM501 0.0 15.9 0.5
ND A:HEM501 1.9 16.5 0.5
ND A:HEM501 2.0 15.2 0.5
NA A:HEM501 2.0 14.2 0.5
NA A:HEM501 2.0 15.8 0.5
NC A:HEM501 2.0 16.0 0.5
NC A:HEM501 2.0 14.6 0.5
NB A:HEM501 2.0 16.2 0.5
NB A:HEM501 2.1 15.6 0.5
N1 A:G4O503 2.1 17.7 1.0
SG A:CYS400 2.2 17.4 1.0
C1D A:HEM501 3.0 14.4 0.5
C4C A:HEM501 3.0 14.6 0.5
C1D A:HEM501 3.0 14.9 0.5
C4C A:HEM501 3.0 15.0 0.5
C4D A:HEM501 3.0 16.2 0.5
C4B A:HEM501 3.0 16.4 0.5
C1A A:HEM501 3.0 15.5 0.5
C4D A:HEM501 3.0 16.2 0.5
C1B A:HEM501 3.0 15.2 0.5
C4A A:HEM501 3.0 14.2 0.5
C1A A:HEM501 3.0 15.5 0.5
C4A A:HEM501 3.0 14.0 0.5
C1C A:HEM501 3.1 15.4 0.5
C1C A:HEM501 3.1 16.9 0.5
C4B A:HEM501 3.1 16.1 0.5
C1B A:HEM501 3.1 14.6 0.5
C2 A:G4O503 3.3 16.6 1.0
CHD A:HEM501 3.3 16.9 0.5
CHD A:HEM501 3.4 15.6 0.5
CB A:CYS400 3.4 17.0 1.0
CHC A:HEM501 3.4 16.1 0.5
CHB A:HEM501 3.4 16.6 0.5
CHA A:HEM501 3.4 15.5 0.5
CHC A:HEM501 3.4 15.8 0.5
CHB A:HEM501 3.5 15.0 0.5
CHA A:HEM501 3.5 15.1 0.5
C3 A:G4O503 4.0 19.3 1.0
CA A:CYS400 4.1 15.6 1.0
C3C A:HEM501 4.2 17.0 0.5
C3C A:HEM501 4.2 16.4 0.5
C2C A:HEM501 4.2 14.8 0.5
C3A A:HEM501 4.2 14.9 0.5
C2C A:HEM501 4.2 17.8 0.5
C2A A:HEM501 4.2 16.2 0.5
C2A A:HEM501 4.2 16.4 0.5
C3A A:HEM501 4.2 15.1 0.5
C3D A:HEM501 4.2 16.7 0.5
C2D A:HEM501 4.3 15.6 0.5
C2D A:HEM501 4.3 15.8 0.5
C2B A:HEM501 4.3 16.6 0.5
C3B A:HEM501 4.3 15.7 0.5
C3D A:HEM501 4.3 17.1 0.5
C2B A:HEM501 4.3 16.2 0.5
C3B A:HEM501 4.3 15.7 0.5
C1 A:G4O503 4.4 21.2 1.0
N A:GLY402 4.8 18.1 1.0
C A:CYS400 4.8 15.7 1.0
N A:ILE401 5.0 16.0 1.0

Iron binding site 3 out of 4 in 7ckn

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


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 in Complex with Isopropylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:16.0
occ:0.50
FE B:HEM501 0.0 16.0 0.5
FE B:HEM501 0.0 15.9 0.5
ND B:HEM501 1.9 14.5 0.5
ND B:HEM501 1.9 16.2 0.5
NA B:HEM501 1.9 14.7 0.5
NA B:HEM501 2.0 15.3 0.5
NC B:HEM501 2.1 14.9 0.5
NB B:HEM501 2.1 16.1 0.5
NC B:HEM501 2.1 15.9 0.5
NB B:HEM501 2.1 15.1 0.5
N1 B:G4O503 2.2 18.3 1.0
SG B:CYS400 2.3 16.5 1.0
C1D B:HEM501 2.9 14.8 0.5
C4D B:HEM501 2.9 15.2 0.5
C1D B:HEM501 2.9 15.7 0.5
C4D B:HEM501 3.0 15.1 0.5
C1A B:HEM501 3.0 14.7 0.5
C1A B:HEM501 3.0 14.9 0.5
C4C B:HEM501 3.0 14.2 0.5
C4A B:HEM501 3.0 14.3 0.5
C4C B:HEM501 3.0 12.9 0.5
C4B B:HEM501 3.0 15.4 0.5
C1B B:HEM501 3.0 14.1 0.5
C4A B:HEM501 3.1 15.3 0.5
C4B B:HEM501 3.1 15.1 0.5
C1B B:HEM501 3.1 12.9 0.5
C1C B:HEM501 3.1 14.7 0.5
C1C B:HEM501 3.1 15.5 0.5
C2 B:G4O503 3.2 16.9 1.0
CHA B:HEM501 3.3 14.2 0.5
CHD B:HEM501 3.3 16.9 0.5
CB B:CYS400 3.4 16.3 1.0
CHA B:HEM501 3.4 14.0 0.5
CHD B:HEM501 3.4 14.5 0.5
CHC B:HEM501 3.4 16.6 0.5
CHB B:HEM501 3.4 17.1 0.5
CHB B:HEM501 3.5 14.4 0.5
CHC B:HEM501 3.5 16.4 0.5
C3 B:G4O503 3.9 18.6 1.0
CA B:CYS400 4.0 15.2 1.0
C3D B:HEM501 4.2 16.2 0.5
C2A B:HEM501 4.2 16.9 0.5
C2D B:HEM501 4.2 15.6 0.5
C3D B:HEM501 4.2 17.5 0.5
C3A B:HEM501 4.2 15.3 0.5
C2A B:HEM501 4.2 15.3 0.5
C3C B:HEM501 4.2 14.5 0.5
C3C B:HEM501 4.2 17.1 0.5
C2D B:HEM501 4.2 15.2 0.5
C2B B:HEM501 4.3 16.8 0.5
C2C B:HEM501 4.3 15.8 0.5
C2C B:HEM501 4.3 15.8 0.5
C3A B:HEM501 4.3 14.6 0.5
C3B B:HEM501 4.3 15.7 0.5
C2B B:HEM501 4.3 14.2 0.5
C3B B:HEM501 4.4 15.3 0.5
C1 B:G4O503 4.4 19.7 1.0
N B:GLY402 4.8 15.4 1.0
C B:CYS400 4.8 16.1 1.0
N B:ILE401 4.9 13.8 1.0
CB B:ALA264 5.0 18.9 1.0

Iron binding site 4 out of 4 in 7ckn

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


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 in Complex with Isopropylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:15.9
occ:0.50
FE B:HEM501 0.0 15.9 0.5
FE B:HEM501 0.0 16.0 0.5
ND B:HEM501 1.9 16.2 0.5
ND B:HEM501 1.9 14.5 0.5
NA B:HEM501 2.0 14.7 0.5
NA B:HEM501 2.0 15.3 0.5
NB B:HEM501 2.0 16.1 0.5
NC B:HEM501 2.0 15.9 0.5
NC B:HEM501 2.1 14.9 0.5
NB B:HEM501 2.1 15.1 0.5
N1 B:G4O503 2.2 18.3 1.0
SG B:CYS400 2.3 16.5 1.0
C1D B:HEM501 2.9 15.7 0.5
C1D B:HEM501 2.9 14.8 0.5
C4D B:HEM501 3.0 15.2 0.5
C4C B:HEM501 3.0 14.2 0.5
C4B B:HEM501 3.0 15.4 0.5
C4D B:HEM501 3.0 15.1 0.5
C1B B:HEM501 3.0 14.1 0.5
C1A B:HEM501 3.0 14.9 0.5
C1A B:HEM501 3.0 14.7 0.5
C4C B:HEM501 3.0 12.9 0.5
C4A B:HEM501 3.1 14.3 0.5
C4B B:HEM501 3.1 15.1 0.5
C4A B:HEM501 3.1 15.3 0.5
C1C B:HEM501 3.1 14.7 0.5
C1C B:HEM501 3.1 15.5 0.5
C1B B:HEM501 3.1 12.9 0.5
C2 B:G4O503 3.2 16.9 1.0
CHD B:HEM501 3.3 16.9 0.5
CB B:CYS400 3.4 16.3 1.0
CHA B:HEM501 3.4 14.2 0.5
CHC B:HEM501 3.4 16.6 0.5
CHA B:HEM501 3.4 14.0 0.5
CHD B:HEM501 3.4 14.5 0.5
CHB B:HEM501 3.4 17.1 0.5
CHC B:HEM501 3.4 16.4 0.5
CHB B:HEM501 3.5 14.4 0.5
C3 B:G4O503 3.9 18.6 1.0
CA B:CYS400 4.0 15.2 1.0
C3C B:HEM501 4.2 17.1 0.5
C3D B:HEM501 4.2 16.2 0.5
C2B B:HEM501 4.2 16.8 0.5
C3C B:HEM501 4.2 14.5 0.5
C2A B:HEM501 4.2 15.3 0.5
C2A B:HEM501 4.2 16.9 0.5
C2C B:HEM501 4.2 15.8 0.5
C2D B:HEM501 4.2 15.6 0.5
C3D B:HEM501 4.2 17.5 0.5
C3A B:HEM501 4.2 15.3 0.5
C2D B:HEM501 4.2 15.2 0.5
C2C B:HEM501 4.3 15.8 0.5
C3B B:HEM501 4.3 15.7 0.5
C3A B:HEM501 4.3 14.6 0.5
C2B B:HEM501 4.3 14.2 0.5
C3B B:HEM501 4.3 15.3 0.5
C1 B:G4O503 4.4 19.7 1.0
N B:GLY402 4.8 15.4 1.0
C B:CYS400 4.8 16.1 1.0
N B:ILE401 5.0 13.8 1.0
CB B:ALA264 5.0 18.9 1.0

Reference:

O.Shoji, J.K.Stanfield. Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)Phenoxy]}Acetoyl-L-Phenylalanine in Complex with Isopropylamine at 1.55 Angstrom Resolution To Be Published.
Page generated: Thu Aug 8 03:05:01 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy