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Fluorine in PDB 6lw8: Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis

Enzymatic activity of Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis

All present enzymatic activity of Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis:
6.5.1.2;

Protein crystallography data

The structure of Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis, PDB code: 6lw8 was solved by R.Ramachandran, M.Afsar, A.Shukla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.12 / 2.40
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 95.39, 95.39, 201.683, 90, 90, 120
R / Rfree (%) 23.9 / 27

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis (pdb code 6lw8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis, PDB code: 6lw8:

Fluorine binding site 1 out of 1 in 6lw8

Go back to Fluorine Binding Sites List in 6lw8
Fluorine binding site 1 out of 1 in the Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:96.8
occ:1.00
 F01 A:EWO502 0.0 96.8 1.0
C02 A:EWO502 1.4 92.4 1.0
C07 A:EWO502 2.3 87.0 1.0
C03 A:EWO502 2.4 82.7 1.0
H071 A:EWO502 2.5 104.4 1.0
H031 A:EWO502 2.6 99.2 1.0
C06 A:EWO502 3.6 93.5 1.0
C04 A:EWO502 3.7 81.6 1.0
C05 A:EWO502 4.2 93.4 1.0
H061 A:EWO502 4.3 112.1 1.0
H041 A:EWO502 4.4 97.9 1.0
HH A:TYR32 4.5 112.8 1.0
OH A:TYR32 4.8 94.0 1.0

Reference:

R.Ramachandran, A.Shukla, M.Afsar. Structural Basis For Domain Rotation During Adenylation of Active Site K123 and Fragment Library Screening Against Nad+ -Dependent Dna Ligase From Mycobacterium Tuberculosis To Be Published.
Page generated: Thu Aug 1 22:08:22 2024

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