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Iron in PDB 7jj1: Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein

Enzymatic activity of Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein

All present enzymatic activity of Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein:
1.14.13.70;

Protein crystallography data

The structure of Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein, PDB code: 7jj1 was solved by B.Zhao, D.C.Lamb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.52 / 3.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 157.682, 164.755, 187.683, 90, 90, 90
R / Rfree (%) 19.6 / 23.7

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein (pdb code 7jj1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein, PDB code: 7jj1:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 7jj1

Go back to Iron Binding Sites List in 7jj1
Iron binding site 1 out of 3 in the Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:32.3
occ:1.00
 FE A:HEM501 0.0 32.3 1.0
NB A:HEM501 2.0 42.0 1.0
ND A:HEM501 2.0 38.7 1.0
NC A:HEM501 2.0 39.0 1.0
NA A:HEM501 2.0 38.9 1.0
SG A:CYS394 2.8 45.3 1.0
C5 A:IMD503 2.9 40.6 1.0
N1 A:IMD503 3.0 41.5 1.0
C1B A:HEM501 3.0 43.1 1.0
C1C A:HEM501 3.0 52.9 1.0
C1A A:HEM501 3.0 43.9 1.0
C4A A:HEM501 3.0 38.8 1.0
C4B A:HEM501 3.0 33.4 1.0
C1D A:HEM501 3.1 44.1 1.0
C4D A:HEM501 3.1 36.7 1.0
C4C A:HEM501 3.1 42.8 1.0
CHB A:HEM501 3.4 43.9 1.0
CHD A:HEM501 3.4 46.5 1.0
CHA A:HEM501 3.4 42.3 1.0
CHC A:HEM501 3.4 48.8 1.0
CB A:CYS394 3.8 40.1 1.0
C4 A:IMD503 4.2 42.1 1.0
C2B A:HEM501 4.3 40.0 1.0
C3B A:HEM501 4.3 36.4 1.0
C2A A:HEM501 4.3 44.0 1.0
C3A A:HEM501 4.3 30.2 1.0
C2D A:HEM501 4.3 42.7 1.0
C3D A:HEM501 4.3 46.5 1.0
C2C A:HEM501 4.3 49.1 1.0
C2 A:IMD503 4.3 41.5 1.0
C3C A:HEM501 4.3 44.2 1.0
CA A:CYS394 4.3 34.5 1.0
N3 A:IMD503 4.9 59.4 1.0
N A:GLY396 5.0 33.3 1.0

Iron binding site 2 out of 3 in 7jj1

Go back to Iron Binding Sites List in 7jj1
Iron binding site 2 out of 3 in the Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:33.7
occ:1.00
 FE B:HEM501 0.0 33.7 1.0
ND B:HEM501 2.0 40.6 1.0
NB B:HEM501 2.0 29.3 1.0
NC B:HEM501 2.0 31.6 1.0
NA B:HEM501 2.0 36.2 1.0
N3 B:IMD503 2.5 29.0 1.0
SG B:CYS394 2.8 38.8 1.0
C1B B:HEM501 3.0 30.0 1.0
C1C B:HEM501 3.0 32.0 1.0
C1A B:HEM501 3.0 38.0 1.0
C4B B:HEM501 3.0 34.1 1.0
C4A B:HEM501 3.0 34.1 1.0
C4D B:HEM501 3.0 39.6 1.0
C1D B:HEM501 3.1 31.0 1.0
C4C B:HEM501 3.1 27.0 1.0
C2 B:IMD503 3.2 38.6 1.0
CHB B:HEM501 3.4 29.1 1.0
CHA B:HEM501 3.4 32.1 1.0
CHD B:HEM501 3.4 26.9 1.0
CHC B:HEM501 3.4 35.3 1.0
C4 B:IMD503 3.6 47.8 1.0
CB B:CYS394 3.6 30.3 1.0
C2B B:HEM501 4.2 28.4 1.0
C3B B:HEM501 4.3 31.6 1.0
C2D B:HEM501 4.3 32.7 1.0
C2A B:HEM501 4.3 33.8 1.0
C3A B:HEM501 4.3 26.9 1.0
C3D B:HEM501 4.3 44.0 1.0
C2C B:HEM501 4.3 36.3 1.0
C3C B:HEM501 4.3 29.6 1.0
N1 B:IMD503 4.4 42.5 1.0
CA B:CYS394 4.4 29.9 1.0
C5 B:IMD503 4.6 53.8 1.0

Iron binding site 3 out of 3 in 7jj1

Go back to Iron Binding Sites List in 7jj1
Iron binding site 3 out of 3 in the Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51- Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:23.4
occ:1.00
 FE C:HEM501 0.0 23.4 1.0
NB C:HEM501 2.0 31.9 1.0
ND C:HEM501 2.0 31.7 1.0
NC C:HEM501 2.0 33.2 1.0
NA C:HEM501 2.0 29.4 1.0
SG C:CYS394 2.9 31.5 1.0
C1B C:HEM501 3.0 27.0 1.0
C1C C:HEM501 3.0 27.2 1.0
C1A C:HEM501 3.0 29.1 1.0
C4B C:HEM501 3.0 30.2 1.0
C1D C:HEM501 3.0 26.7 1.0
C4A C:HEM501 3.0 30.8 1.0
C4D C:HEM501 3.1 34.7 1.0
C4C C:HEM501 3.1 27.3 1.0
CHB C:HEM501 3.4 20.4 1.0
CHD C:HEM501 3.4 18.4 1.0
CHA C:HEM501 3.4 31.3 1.0
CHC C:HEM501 3.4 25.5 1.0
N3 C:IMD503 3.4 24.0 1.0
CB C:CYS394 3.6 27.5 1.0
C4 C:IMD503 4.0 42.0 1.0
C2B C:HEM501 4.3 26.0 1.0
C3B C:HEM501 4.3 30.2 1.0
CA C:CYS394 4.3 30.4 1.0
C2D C:HEM501 4.3 25.4 1.0
C2A C:HEM501 4.3 27.6 1.0
C3A C:HEM501 4.3 23.6 1.0
C3D C:HEM501 4.3 26.4 1.0
C2C C:HEM501 4.3 33.6 1.0
C3C C:HEM501 4.3 35.9 1.0
C2 C:IMD503 4.5 59.2 1.0
O C:ALA257 4.7 45.4 1.0
CB C:ALA257 5.0 40.3 1.0

Reference:

B.Zhao, D.C.Lamb. Crystal Structure of the Sterol 14ALPHA-Demethylase-Ferredoxin (CYP51-Fx) Heme Domain and Architectural Comparison to the Whole Fusion Protein To Be Published.
Page generated: Thu Aug 8 05:43:36 2024

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