Fluorine in PDB 6yya: Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Inhibitor

Enzymatic activity of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Inhibitor

All present enzymatic activity of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Inhibitor:
6.3.2.6;

Protein crystallography data

The structure of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Inhibitor, PDB code: 6yya was solved by S.E.Thomas, S.Charoensutthivarakul, A.G.Coyne, C.Abell, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.54 / 1.41
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.801, 64.956, 48.277, 90, 110.81, 90
R / Rfree (%) 18.6 / 21.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Inhibitor (pdb code 6yya). 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 Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Inhibitor, PDB code: 6yya:

Fluorine binding site 1 out of 1 in 6yya

Go back to Fluorine Binding Sites List in 6yya
Fluorine binding site 1 out of 1 in the Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:29.8
occ:1.00
 F22 A:PZK301 0.0 29.8 1.0
C20 A:PZK301 1.4 20.6 1.0
C19 A:PZK301 2.3 18.9 1.0
C21 A:PZK301 2.4 23.6 1.0
O A:ALA12 3.2 18.6 1.0
N A:GLY14 3.2 23.2 1.0
C A:ALA12 3.3 22.5 1.0
CA A:SER13 3.4 24.6 1.0
C A:SER13 3.4 24.7 1.0
N A:SER13 3.4 21.1 1.0
O A:ARG17 3.5 19.1 1.0
C18 A:PZK301 3.6 23.2 1.0
CA A:GLU18 3.6 17.0 1.0
C16 A:PZK301 3.7 20.7 1.0
CB A:ALA12 3.7 22.7 1.0
N A:LEU19 3.7 16.6 1.0
C A:GLU18 3.8 16.5 1.0
C A:ARG17 3.9 18.4 1.0
N A:GLU18 3.9 15.9 1.0
CB A:LEU19 4.1 17.5 1.0
CA A:ALA12 4.1 20.5 1.0
C17 A:PZK301 4.1 23.9 1.0
CA A:GLY14 4.2 24.1 1.0
O A:SER13 4.2 29.8 1.0
CG A:ARG17 4.2 20.1 1.0
O A:HOH493 4.3 31.9 1.0
O A:GLU18 4.5 17.6 1.0
CA A:LEU19 4.5 15.5 1.0
NE A:ARG17 4.8 25.2 1.0
CB A:SER13 4.8 26.9 1.0
CB A:ARG17 4.9 18.1 1.0
CA A:ARG17 5.0 17.0 1.0

Reference:

S.E.Thomas, S.Charoensutthivarakul, A.G.Coyne, C.Abell, T.L.Blundell. Fragment-Based Design and Discovery of Novel Inhibitors Targeting Mycobacterium Abscessus Saicar Synthetase (Purc) To Be Published.
Page generated: Sat Jul 10 13:56:35 2021

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