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Bromine in PDB 4wqj: Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole

Enzymatic activity of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole

All present enzymatic activity of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole, PDB code: 4wqj was solved by Y.Madrona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.95 / 2.70
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 168.680, 168.680, 76.350, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 21.1

Other elements in 4wqj:

The structure of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole also contains other interesting chemical elements:

Iron (Fe) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole (pdb code 4wqj). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole, PDB code: 4wqj:

Bromine binding site 1 out of 1 in 4wqj

Go back to Bromine Binding Sites List in 4wqj
Bromine binding site 1 out of 1 in the Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of CYP119 From Sulfolobus Acidocaldarius, Collected at 298K and Complexed with 4-(4-Bromophenyl)-1H Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:57.8
occ:0.69
 BR A:36Y402 0.0 57.8 0.7
C9 A:36Y402 1.9 67.2 1.0
C10 A:36Y402 2.9 59.4 1.0
C8 A:36Y402 2.9 59.4 1.0
CG2 A:ILE161 3.7 60.7 1.0
N A:PHE153 3.8 69.0 1.0
CG1 A:VAL353 3.8 55.1 1.0
C A:ALA152 3.9 69.7 1.0
O A:ALA152 4.1 70.4 1.0
C11 A:36Y402 4.2 59.2 1.0
CA A:PHE153 4.2 73.3 1.0
CB A:ILE161 4.2 68.9 1.0
C7 A:36Y402 4.2 61.6 1.0
CB A:VAL353 4.3 63.0 1.0
CA A:ALA152 4.5 71.0 1.0
CB A:PHE153 4.6 71.7 1.0
N A:ALA152 4.6 64.8 1.0
CG A:LEU354 4.6 52.5 1.0
CD1 A:LEU354 4.7 59.1 1.0
C6 A:36Y402 4.7 62.5 1.0
CG2 A:VAL353 4.8 57.8 1.0
CA A:ILE161 5.0 74.1 1.0
CD2 A:LEU354 5.0 58.8 1.0

Reference:

D.Basudhar, Y.Madrona, S.Kandel, J.N.Lampe, P.Ortiz De Montellano. Two Dimensional uc(Nmr) and X-Ray Analysis of CYP119 Ligand-Dependent Conformational Dynamics. To Be Published.
Page generated: Wed Jul 10 22:51:09 2024

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