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Fluorine in PDB 6qop: Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 19 (5- Fluoroquinazolin-4-Ol)

Enzymatic activity of Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 19 (5- Fluoroquinazolin-4-Ol)

All present enzymatic activity of Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 19 (5- Fluoroquinazolin-4-Ol):
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 19 (5- Fluoroquinazolin-4-Ol), PDB code: 6qop 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) 58.21 / 1.91
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.133, 78.896, 86.245, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 22.3

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 19 (5- Fluoroquinazolin-4-Ol) (pdb code 6qop). 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 19 (5- Fluoroquinazolin-4-Ol), PDB code: 6qop:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6qop

Go back to Fluorine Binding Sites List in 6qop
Fluorine binding site 1 out of 2 in the Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 19 (5- Fluoroquinazolin-4-Ol)


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 19 (5- Fluoroquinazolin-4-Ol) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:61.9
occ:1.00
 F01 A:JBQ301 0.0 61.9 1.0
C02 A:JBQ301 1.3 57.4 1.0
C03 A:JBQ301 2.3 51.8 1.0
C12 A:JBQ301 2.4 51.6 1.0
O11 A:JBQ301 2.6 50.2 1.0
C10 A:JBQ301 2.9 52.5 1.0
O A:LEU138 3.0 46.5 1.0
CG A:PRO85 3.5 58.4 1.0
CD2 A:TYR111 3.5 71.1 1.0
C04 A:JBQ301 3.6 51.7 1.0
C06 A:JBQ301 3.6 40.5 1.0
C A:LEU138 3.8 39.2 1.0
CA A:TYR111 3.8 48.0 1.0
CD A:PRO85 3.8 47.6 1.0
CB A:LEU138 3.9 36.0 1.0
CB A:TYR111 3.9 47.4 1.0
N A:LEU138 4.0 36.0 1.0
O A:GLY140 4.0 36.8 1.0
C05 A:JBQ301 4.1 42.7 1.0
CA A:LEU138 4.1 36.6 1.0
CG A:TYR111 4.1 60.0 1.0
C A:GLY140 4.1 42.4 1.0
N A:GLY140 4.2 36.5 1.0
N09 A:JBQ301 4.2 47.5 1.0
CA A:GLY140 4.3 42.7 1.0
N A:TYR111 4.4 46.5 1.0
CE2 A:TYR111 4.5 71.3 1.0
C A:ASN139 4.6 37.5 1.0
CB A:PRO85 4.7 50.6 1.0
N A:PRO85 4.7 39.3 1.0
N A:ASN139 4.7 35.0 1.0
CG A:LEU138 4.7 38.9 1.0
N A:GLY141 4.8 36.1 1.0
N07 A:JBQ301 4.8 37.9 1.0
O A:ASN139 4.9 38.4 1.0
C A:TYR111 5.0 52.5 1.0
CD1 A:LEU138 5.0 40.1 1.0

Fluorine binding site 2 out of 2 in 6qop

Go back to Fluorine Binding Sites List in 6qop
Fluorine binding site 2 out of 2 in the Crystal Structure of Trmd, A Trna-(N1G37) Methyltransferase, From Mycobacterium Abscessus in Complex with Fragment 19 (5- Fluoroquinazolin-4-Ol)


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 19 (5- Fluoroquinazolin-4-Ol) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:56.1
occ:1.00
 F01 B:JBQ301 0.0 56.1 1.0
C02 B:JBQ301 1.3 54.7 1.0
C03 B:JBQ301 2.4 51.0 1.0
C12 B:JBQ301 2.4 54.8 1.0
O11 B:JBQ301 2.5 59.0 1.0
C10 B:JBQ301 2.8 56.5 1.0
N B:THR84 2.9 32.3 1.0
CB B:PRO83 3.0 39.2 1.0
C B:PRO83 3.1 31.7 1.0
CA B:PRO83 3.4 32.0 1.0
CB B:ALA144 3.5 32.9 1.0
CA B:THR84 3.6 32.1 1.0
C06 B:JBQ301 3.6 57.8 1.0
C04 B:JBQ301 3.6 49.2 1.0
O B:VAL131 3.7 34.4 1.0
C B:THR84 3.8 31.8 1.0
O B:PRO83 3.9 35.8 1.0
O B:THR84 4.0 35.4 1.0
C05 B:JBQ301 4.1 51.2 1.0
N09 B:JBQ301 4.1 59.5 1.0
N B:PRO85 4.3 37.1 1.0
CG B:PRO83 4.5 39.9 1.0
CA B:SER132 4.5 29.0 0.4
CA B:SER132 4.5 29.4 0.6
N B:ILE133 4.7 32.5 1.0
N07 B:JBQ301 4.7 63.5 1.0
N B:PRO83 4.8 32.8 1.0
CA B:GLY141 4.8 34.2 1.0
C B:VAL131 4.8 31.7 1.0
CD B:PRO85 4.8 45.7 1.0
C08 B:JBQ301 4.9 63.2 1.0
CG1 B:ILE133 5.0 32.6 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: Fri Aug 2 00:59:05 2024

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