Atomistry » Iron » PDB 7cjj-7czi » 7cx6
Atomistry »
  Iron »
    PDB 7cjj-7czi »
      7cx6 »

Iron in PDB 7cx6: Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine

Enzymatic activity of Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine

All present enzymatic activity of Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine, PDB code: 7cx6 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) 48.03 / 1.69
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.56, 146.113, 64.624, 90, 100.04, 90
R / Rfree (%) 16.7 / 19.8

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine (pdb code 7cx6). 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-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine, PDB code: 7cx6:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7cx6

Go back to Iron Binding Sites List in 7cx6
Iron binding site 1 out of 4 in the Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine


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-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:15.5
occ:0.50
 FE A:HEM501 0.0 15.5 0.5
FE A:HEM501 0.0 14.6 0.5
ND A:HEM501 1.9 14.8 0.5
ND A:HEM501 1.9 13.9 0.5
NA A:HEM501 2.0 13.7 0.5
NA A:HEM501 2.0 14.8 0.5
NB A:HEM501 2.1 14.1 0.5
NC A:HEM501 2.1 15.4 0.5
NC A:HEM501 2.1 14.1 0.5
NB A:HEM501 2.1 15.1 0.5
NBR A:QSC503 2.2 18.6 1.0
SG A:CYS400 2.3 15.8 1.0
C1D A:HEM501 2.9 15.1 0.5
C4D A:HEM501 2.9 15.2 0.5
C1D A:HEM501 2.9 14.0 0.5
C4D A:HEM501 2.9 13.9 0.5
C1A A:HEM501 3.0 14.3 0.5
C1A A:HEM501 3.0 14.7 0.5
C4B A:HEM501 3.0 14.5 0.5
C4A A:HEM501 3.0 14.0 0.5
C4C A:HEM501 3.0 15.7 0.5
C4C A:HEM501 3.0 14.2 0.5
C1B A:HEM501 3.0 14.2 0.5
C4B A:HEM501 3.0 15.0 0.5
C4A A:HEM501 3.1 14.8 0.5
C1B A:HEM501 3.1 15.2 0.5
C1C A:HEM501 3.1 14.0 0.5
C1C A:HEM501 3.1 15.9 0.5
CCL A:QSC503 3.2 18.7 1.0
CHD A:HEM501 3.4 15.4 0.5
CB A:CYS400 3.4 15.2 1.0
CHD A:HEM501 3.4 14.2 0.5
CHA A:HEM501 3.4 15.2 0.5
CHA A:HEM501 3.4 14.3 0.5
CHB A:HEM501 3.4 14.2 0.5
CHB A:HEM501 3.5 15.0 0.5
CHC A:HEM501 3.5 14.3 0.5
CHC A:HEM501 3.5 15.6 0.5
CA A:CYS400 4.0 15.3 1.0
CAE A:QSC503 4.1 19.7 1.0
C2D A:HEM501 4.2 15.4 0.5
C3D A:HEM501 4.2 15.2 0.5
C2D A:HEM501 4.2 14.2 0.5
C3D A:HEM501 4.2 14.7 0.5
C2A A:HEM501 4.2 14.2 0.5
C3A A:HEM501 4.2 14.3 0.5
C2A A:HEM501 4.2 15.5 0.5
CCI A:QSC503 4.2 19.1 1.0
C3C A:HEM501 4.2 14.3 0.5
C3C A:HEM501 4.2 16.1 0.5
C3A A:HEM501 4.2 14.9 0.5
C2B A:HEM501 4.3 14.3 0.5
C2C A:HEM501 4.3 14.4 0.5
C3B A:HEM501 4.3 14.6 0.5
C2B A:HEM501 4.3 15.2 0.5
C2C A:HEM501 4.3 16.1 0.5
C3B A:HEM501 4.3 15.4 0.5
CBF A:QSC503 4.8 19.6 1.0
N A:GLY402 4.8 15.9 1.0
C A:CYS400 4.8 15.0 1.0
CB A:ALA264 4.9 18.2 1.0
N A:ILE401 5.0 15.5 1.0

Iron binding site 2 out of 4 in 7cx6

Go back to Iron Binding Sites List in 7cx6
Iron binding site 2 out of 4 in the Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine


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-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:14.6
occ:0.50
 FE A:HEM501 0.0 14.6 0.5
FE A:HEM501 0.0 15.5 0.5
ND A:HEM501 1.9 13.9 0.5
ND A:HEM501 1.9 14.8 0.5
NA A:HEM501 2.0 14.8 0.5
NA A:HEM501 2.0 13.7 0.5
NC A:HEM501 2.1 14.1 0.5
NB A:HEM501 2.1 15.1 0.5
NB A:HEM501 2.1 14.1 0.5
NC A:HEM501 2.1 15.4 0.5
NBR A:QSC503 2.2 18.6 1.0
SG A:CYS400 2.3 15.8 1.0
C1D A:HEM501 2.9 14.0 0.5
C1D A:HEM501 2.9 15.1 0.5
C4D A:HEM501 2.9 15.2 0.5
C4D A:HEM501 2.9 13.9 0.5
C1A A:HEM501 3.0 14.3 0.5
C1A A:HEM501 3.0 14.7 0.5
C4C A:HEM501 3.0 14.2 0.5
C4A A:HEM501 3.0 14.8 0.5
C4B A:HEM501 3.0 15.0 0.5
C4B A:HEM501 3.0 14.5 0.5
C1B A:HEM501 3.0 15.2 0.5
C4A A:HEM501 3.0 14.0 0.5
C4C A:HEM501 3.1 15.7 0.5
C1B A:HEM501 3.1 14.2 0.5
C1C A:HEM501 3.1 14.0 0.5
C1C A:HEM501 3.1 15.9 0.5
CCL A:QSC503 3.2 18.7 1.0
CB A:CYS400 3.4 15.2 1.0
CHD A:HEM501 3.4 14.2 0.5
CHA A:HEM501 3.4 15.2 0.5
CHD A:HEM501 3.4 15.4 0.5
CHA A:HEM501 3.4 14.3 0.5
CHB A:HEM501 3.4 15.0 0.5
CHB A:HEM501 3.5 14.2 0.5
CHC A:HEM501 3.5 14.3 0.5
CHC A:HEM501 3.5 15.6 0.5
CA A:CYS400 4.0 15.3 1.0
CAE A:QSC503 4.1 19.7 1.0
C2D A:HEM501 4.2 14.2 0.5
C3D A:HEM501 4.2 15.2 0.5
C2D A:HEM501 4.2 15.4 0.5
C3D A:HEM501 4.2 14.7 0.5
C2A A:HEM501 4.2 14.2 0.5
C2A A:HEM501 4.2 15.5 0.5
C3A A:HEM501 4.2 14.9 0.5
C3A A:HEM501 4.2 14.3 0.5
C3C A:HEM501 4.2 14.3 0.5
CCI A:QSC503 4.2 19.1 1.0
C2C A:HEM501 4.3 14.4 0.5
C2B A:HEM501 4.3 15.2 0.5
C3C A:HEM501 4.3 16.1 0.5
C2B A:HEM501 4.3 14.3 0.5
C3B A:HEM501 4.3 15.4 0.5
C3B A:HEM501 4.3 14.6 0.5
C2C A:HEM501 4.3 16.1 0.5
CBF A:QSC503 4.8 19.6 1.0
N A:GLY402 4.8 15.9 1.0
C A:CYS400 4.8 15.0 1.0
CB A:ALA264 4.9 18.2 1.0
N A:ILE401 5.0 15.5 1.0

Iron binding site 3 out of 4 in 7cx6

Go back to Iron Binding Sites List in 7cx6
Iron binding site 3 out of 4 in the Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine


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-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:15.2
occ:0.50
 FE B:HEM501 0.0 15.2 0.5
FE B:HEM501 0.0 14.3 0.5
ND B:HEM501 1.9 13.7 0.5
ND B:HEM501 1.9 13.5 0.5
NA B:HEM501 2.0 13.0 0.5
NA B:HEM501 2.0 14.3 0.5
NC B:HEM501 2.1 14.5 0.5
NB B:HEM501 2.1 13.5 0.5
NB B:HEM501 2.1 14.3 0.5
NC B:HEM501 2.1 13.3 0.5
NBR B:QSC503 2.2 16.4 1.0
SG B:CYS400 2.3 15.3 1.0
C1D B:HEM501 2.9 14.2 0.5
C1D B:HEM501 2.9 13.8 0.5
C4D B:HEM501 2.9 14.0 0.5
C4D B:HEM501 2.9 13.5 0.5
C1A B:HEM501 3.0 13.3 0.5
C1A B:HEM501 3.0 14.2 0.5
C4C B:HEM501 3.0 13.5 0.5
C4B B:HEM501 3.0 13.3 0.5
C4B B:HEM501 3.0 14.4 0.5
C4C B:HEM501 3.0 14.5 0.5
C4A B:HEM501 3.0 13.4 0.5
C1B B:HEM501 3.1 13.4 0.5
C1B B:HEM501 3.1 14.5 0.5
C4A B:HEM501 3.1 14.7 0.5
C1C B:HEM501 3.1 14.4 0.5
C1C B:HEM501 3.1 13.4 0.5
CCL B:QSC503 3.1 16.6 1.0
CB B:CYS400 3.3 15.9 1.0
CHD B:HEM501 3.4 13.7 0.5
CHA B:HEM501 3.4 13.4 0.5
CHD B:HEM501 3.4 14.0 0.5
CHA B:HEM501 3.4 14.1 0.5
CHC B:HEM501 3.4 14.4 0.5
CHB B:HEM501 3.5 13.0 0.5
CHC B:HEM501 3.5 13.2 0.5
CHB B:HEM501 3.5 14.7 0.5
CAE B:QSC503 4.0 16.0 1.0
CA B:CYS400 4.0 15.3 1.0
C3D B:HEM501 4.2 14.3 0.5
C2D B:HEM501 4.2 14.6 0.5
C3D B:HEM501 4.2 13.9 0.5
C2D B:HEM501 4.2 13.7 0.5
C2A B:HEM501 4.2 13.6 0.5
C3A B:HEM501 4.2 13.8 0.5
CCI B:QSC503 4.2 16.4 1.0
C2A B:HEM501 4.2 14.7 0.5
C3C B:HEM501 4.2 13.5 0.5
C3A B:HEM501 4.3 14.5 0.5
C3C B:HEM501 4.3 14.6 0.5
C2C B:HEM501 4.3 14.7 0.5
C2B B:HEM501 4.3 13.3 0.5
C2B B:HEM501 4.3 14.6 0.5
C2C B:HEM501 4.3 13.6 0.5
C3B B:HEM501 4.3 13.4 0.5
C3B B:HEM501 4.3 14.9 0.5
CBF B:QSC503 4.7 17.3 1.0
C B:CYS400 4.8 16.1 1.0
N B:GLY402 4.8 14.9 1.0
CB B:ALA264 4.9 16.0 1.0
N B:ILE401 5.0 15.3 1.0

Iron binding site 4 out of 4 in 7cx6

Go back to Iron Binding Sites List in 7cx6
Iron binding site 4 out of 4 in the Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine


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-(5-Cyclohexyl)Valeroyl-L- Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:14.3
occ:0.50
 FE B:HEM501 0.0 14.3 0.5
FE B:HEM501 0.0 15.2 0.5
ND B:HEM501 1.9 13.5 0.5
ND B:HEM501 1.9 13.7 0.5
NA B:HEM501 2.0 14.3 0.5
NA B:HEM501 2.0 13.0 0.5
NB B:HEM501 2.1 14.3 0.5
NC B:HEM501 2.1 13.3 0.5
NC B:HEM501 2.1 14.5 0.5
NB B:HEM501 2.1 13.5 0.5
NBR B:QSC503 2.2 16.4 1.0
SG B:CYS400 2.3 15.3 1.0
C1D B:HEM501 2.9 13.8 0.5
C1D B:HEM501 2.9 14.2 0.5
C4D B:HEM501 2.9 14.0 0.5
C4D B:HEM501 2.9 13.5 0.5
C1A B:HEM501 3.0 13.3 0.5
C4C B:HEM501 3.0 13.5 0.5
C4B B:HEM501 3.0 14.4 0.5
C1A B:HEM501 3.0 14.2 0.5
C4B B:HEM501 3.0 13.3 0.5
C1B B:HEM501 3.0 14.5 0.5
C4C B:HEM501 3.0 14.5 0.5
C4A B:HEM501 3.1 14.7 0.5
C4A B:HEM501 3.1 13.4 0.5
C1B B:HEM501 3.1 13.4 0.5
C1C B:HEM501 3.1 14.4 0.5
C1C B:HEM501 3.1 13.4 0.5
CCL B:QSC503 3.2 16.6 1.0
CB B:CYS400 3.3 15.9 1.0
CHD B:HEM501 3.4 13.7 0.5
CHA B:HEM501 3.4 13.4 0.5
CHA B:HEM501 3.4 14.1 0.5
CHD B:HEM501 3.4 14.0 0.5
CHC B:HEM501 3.4 14.4 0.5
CHC B:HEM501 3.5 13.2 0.5
CHB B:HEM501 3.5 14.7 0.5
CHB B:HEM501 3.5 13.0 0.5
CA B:CYS400 4.0 15.3 1.0
CAE B:QSC503 4.0 16.0 1.0
C2D B:HEM501 4.2 13.7 0.5
C3D B:HEM501 4.2 14.3 0.5
C3D B:HEM501 4.2 13.9 0.5
C2D B:HEM501 4.2 14.6 0.5
C3C B:HEM501 4.2 13.5 0.5
C2A B:HEM501 4.2 13.6 0.5
CCI B:QSC503 4.2 16.4 1.0
C2A B:HEM501 4.2 14.7 0.5
C3A B:HEM501 4.2 13.8 0.5
C3A B:HEM501 4.2 14.5 0.5
C2B B:HEM501 4.3 14.6 0.5
C2C B:HEM501 4.3 13.6 0.5
C3C B:HEM501 4.3 14.6 0.5
C3B B:HEM501 4.3 14.9 0.5
C2C B:HEM501 4.3 14.7 0.5
C2B B:HEM501 4.3 13.3 0.5
C3B B:HEM501 4.3 13.4 0.5
CBF B:QSC503 4.7 17.3 1.0
C B:CYS400 4.8 16.1 1.0
N B:GLY402 4.8 14.9 1.0
CB B:ALA264 4.9 16.0 1.0
N B:ILE401 5.0 15.3 1.0

Reference:

O.Shoji, J.K.Stanfield. Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)Valeroyl-L-Phenylalanine in Complex with (R)-(+)-1-Phenylethylamine at 1.69 Angstrom Resolution To Be Published.
Page generated: Thu Aug 8 03:25:15 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy