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Chlorine 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:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Complexed with 4-(4-Chlorophenyl)Imidazole, PDB code: 4tuv:

Chlorine binding site 1 out of 1 in 4tuv

Go back to Chlorine Binding Sites List in 4tuv
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402

b:52.0
occ:1.00
CL A:CPZ402 0.0 52.0 1.0
C9 A:CPZ402 1.8 46.1 1.0
C10 A:CPZ402 2.7 39.5 1.0
C8 A:CPZ402 2.7 43.3 1.0
N A:PHE153 3.6 48.6 1.0
CG1 A:VAL353 3.6 39.0 1.0
C A:ALA152 3.9 46.1 1.0
CB A:VAL353 3.9 47.5 1.0
CA A:PHE153 4.0 46.5 1.0
C11 A:CPZ402 4.0 37.8 1.0
C7 A:CPZ402 4.0 36.9 1.0
CG2 A:ILE161 4.1 49.1 1.0
O A:ALA152 4.3 46.2 1.0
CB A:ILE161 4.3 48.2 1.0
CB A:PHE153 4.4 47.6 1.0
CG A:LEU354 4.5 43.0 1.0
CA A:ALA152 4.5 47.5 1.0
C6 A:CPZ402 4.5 35.3 1.0
CG2 A:VAL353 4.6 44.3 1.0
CD1 A:LEU354 4.7 43.2 1.0
O A:HOH564 4.8 38.8 1.0
N A:ALA152 4.8 45.9 1.0
CD2 A:LEU354 4.8 42.4 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: Fri Jul 26 01:55:41 2024

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