Fluorine in PDB 6qod: Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole)

Enzymatic activity of Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole)

All present enzymatic activity of Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole):
2.1.1.228;

Protein crystallography data

The structure of Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole), PDB code: 6qod was solved by S.E.Thomas, A.J.Whitehouse, A.G.Coyne, C.Abell, V.Mendes, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.31 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.143, 78.379, 86.540, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 21.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole) (pdb code 6qod). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole), PDB code: 6qod:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6qod

Go back to Fluorine Binding Sites List in 6qod
Fluorine binding site 1 out of 2 in the Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole)


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 Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:52.0
occ:1.00
 F10 A:FBB301 0.0 52.0 1.0
C5 A:FBB301 1.4 45.7 1.0
C4 A:FBB301 2.4 46.9 1.0
C6 A:FBB301 2.4 47.5 1.0
N A:ILE133 3.0 21.3 1.0
CA A:SER132 3.4 24.5 0.5
CA A:SER132 3.4 24.5 0.5
CG1 A:ILE133 3.5 22.4 1.0
CB A:ALA144 3.6 26.9 1.0
C3 A:FBB301 3.6 48.2 1.0
C1 A:FBB301 3.7 42.2 1.0
C A:SER132 3.7 22.6 1.0
O A:VAL131 3.8 25.4 1.0
N A:THR84 3.9 20.6 1.0
O A:THR84 4.0 25.6 1.0
OG A:SER132 4.1 20.5 0.5
CA A:ILE133 4.1 22.4 1.0
CB A:ILE133 4.1 22.3 1.0
C2 A:FBB301 4.1 49.9 1.0
CB A:SER132 4.2 24.7 0.5
CB A:SER132 4.2 24.6 0.5
C A:THR84 4.2 24.2 1.0
CG2 A:ILE133 4.3 24.1 1.0
N A:SER132 4.4 22.9 1.0
CB A:PRO83 4.4 24.1 1.0
C A:VAL131 4.5 21.9 1.0
C A:PRO83 4.5 30.9 1.0
CA A:THR84 4.6 23.5 1.0
CA A:PRO83 4.6 25.0 1.0
CD1 A:ILE133 4.6 20.9 1.0
N A:PRO85 4.7 24.0 1.0
O A:SER132 4.9 22.9 1.0
N A:GLY134 4.9 24.7 1.0
CA A:PRO85 5.0 27.7 1.0

Fluorine binding site 2 out of 2 in 6qod

Go back to Fluorine Binding Sites List in 6qod
Fluorine binding site 2 out of 2 in the Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 7 (2-Amino-6- Fluorobenzothiazole) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:60.5
occ:1.00
 F10 B:FBB301 0.0 60.5 1.0
C5 B:FBB301 1.3 54.1 1.0
C4 B:FBB301 2.4 39.6 1.0
C6 B:FBB301 2.4 55.1 1.0
N B:ILE133 3.1 19.8 1.0
CG1 B:ILE133 3.4 21.2 1.0
CA B:SER132 3.6 25.1 0.3
CB B:ALA144 3.6 24.9 1.0
C3 B:FBB301 3.6 39.5 1.0
CA B:SER132 3.6 25.9 0.7
C1 B:FBB301 3.6 45.5 1.0
O B:VAL131 3.7 23.6 1.0
N B:THR84 3.8 22.2 1.0
C B:SER132 3.9 26.6 1.0
CB B:ILE133 4.0 23.8 1.0
O B:THR84 4.0 26.9 1.0
CG2 B:ILE133 4.0 26.9 1.0
CB B:PRO83 4.1 22.8 1.0
C2 B:FBB301 4.1 41.6 1.0
CA B:ILE133 4.1 22.1 1.0
C B:THR84 4.3 21.0 1.0
C B:PRO83 4.4 23.6 1.0
CA B:PRO83 4.4 17.9 1.0
OG B:SER132 4.4 22.9 0.7
CB B:SER132 4.5 25.0 0.3
CD1 B:ILE133 4.5 24.6 1.0
CB B:SER132 4.5 24.5 0.7
C B:VAL131 4.5 23.0 1.0
CA B:THR84 4.6 18.4 1.0
N B:SER132 4.6 21.5 1.0
N B:PRO85 4.8 28.7 1.0
N B:GLY134 4.9 23.3 1.0

Reference:

S.E.Thomas, A.J.Whitehouse, A.G.Coyne, C.Abell, V.Mendes, T.L.Blundell. Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus To Be Published.
Page generated: Sun Dec 13 13:09:02 2020

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