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Iron in PDB 4tuv: X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole

Enzymatic activity of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole

All present enzymatic activity of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole:
1.11.1.7;

Protein crystallography data

The structure of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole, PDB code: 4tuv was solved by Y.Madrona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.67 / 2.50
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 165.800, 165.800, 75.860, 90.00, 90.00, 120.00
R / Rfree (%) 18.8 / 23.9

Other elements in 4tuv:

The structure of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole (pdb code 4tuv). 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 X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole, PDB code: 4tuv:

Iron binding site 1 out of 1 in 4tuv

Go back to Iron Binding Sites List in 4tuv
Iron binding site 1 out of 1 in the X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:37.3
occ:1.00
 FE A:HEM401 0.0 37.3 1.0
N1 A:CPZ402 1.9 40.4 1.0
NC A:HEM401 2.0 38.0 1.0
NB A:HEM401 2.0 36.3 1.0
NA A:HEM401 2.1 31.3 1.0
ND A:HEM401 2.1 36.7 1.0
SG A:CYS317 2.3 35.6 1.0
C5 A:CPZ402 2.9 36.7 1.0
C4C A:HEM401 2.9 36.1 1.0
C2 A:CPZ402 3.0 34.1 1.0
C1D A:HEM401 3.0 33.9 1.0
C1C A:HEM401 3.0 39.9 1.0
C4A A:HEM401 3.1 39.3 1.0
C1B A:HEM401 3.1 39.6 1.0
C4B A:HEM401 3.1 37.5 1.0
C1A A:HEM401 3.1 34.3 1.0
C4D A:HEM401 3.2 37.0 1.0
CHD A:HEM401 3.3 36.7 1.0
CB A:CYS317 3.4 37.0 1.0
CHB A:HEM401 3.4 44.1 1.0
CHC A:HEM401 3.4 39.5 1.0
N3 A:CPZ402 4.1 39.1 1.0
CA A:CYS317 4.1 39.6 1.0
C3C A:HEM401 4.2 36.1 1.0
C4 A:CPZ402 4.2 36.2 1.0
C2C A:HEM401 4.2 38.9 1.0
C3B A:HEM401 4.3 37.4 1.0
C2B A:HEM401 4.3 39.6 1.0
C3A A:HEM401 4.3 40.0 1.0
C2D A:HEM401 4.3 34.4 1.0
C2A A:HEM401 4.3 39.2 1.0
C3D A:HEM401 4.4 38.3 1.0
N A:GLY319 4.6 37.3 1.0
C A:CYS317 4.8 39.4 1.0
N A:LEU318 4.8 36.6 1.0

Reference:

D.Basudhar, Y.Madrona, P.R.Ortiz De Montellano. uc(Nmr) and X-Ray Analysis of CYP119 Ligand Dependent Conformational Changes. To Be Published.
Page generated: Mon Aug 5 11:50:42 2024

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