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Fluorine in PDB 1rbm: Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid

Enzymatic activity of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid

All present enzymatic activity of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid:
2.1.2.2;

Protein crystallography data

The structure of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid, PDB code: 1rbm was solved by Y.Zhang, J.Desharnais, D.L.Boger, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.47 / 2.30
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.099, 126.099, 94.269, 90.00, 90.00, 120.00
R / Rfree (%) 23.6 / 26.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid (pdb code 1rbm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid, PDB code: 1rbm:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1rbm

Go back to Fluorine Binding Sites List in 1rbm
Fluorine binding site 1 out of 6 in the Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F510

b:23.4
occ:1.00
 F2 A:KT5510 0.0 23.4 1.0
C6 A:KT5510 1.4 22.4 1.0
F1 A:KT5510 2.1 21.8 1.0
F3 A:KT5510 2.2 23.3 1.0
C5 A:KT5510 2.5 25.5 1.0
OA1 A:KT5510 2.7 21.9 1.0
C10 A:KT5510 3.0 24.6 1.0
C11 A:KT5510 3.2 23.8 1.0
C16 A:KT5510 3.2 24.1 1.0
CE A:MET89 3.3 29.3 1.0
O A:HOH579 3.4 34.5 1.0
CA A:SER118 3.5 21.5 1.0
CB A:SER118 3.6 22.3 1.0
OA2 A:KT5510 3.6 24.8 1.0
SD A:MET89 3.6 27.2 1.0
C12 A:KT5510 4.2 22.9 1.0
C15 A:KT5510 4.2 23.8 1.0
N A:SER118 4.3 22.0 1.0
O A:HOH565 4.3 34.9 1.0
C1 A:KT5510 4.5 26.7 1.0
O A:GLY117 4.6 21.1 1.0
C A:SER118 4.6 21.6 1.0
C A:GLY117 4.7 22.0 1.0
O A:SER118 4.7 21.8 1.0
O A:PHE88 4.8 18.2 1.0
O A:HOH530 4.9 21.9 1.0
ND1 A:HIS108 4.9 17.4 1.0
OG A:SER118 5.0 21.9 1.0

Fluorine binding site 2 out of 6 in 1rbm

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Fluorine binding site 2 out of 6 in the Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F510

b:21.8
occ:1.00
 F1 A:KT5510 0.0 21.8 1.0
C6 A:KT5510 1.3 22.4 1.0
F2 A:KT5510 2.1 23.4 1.0
C5 A:KT5510 2.2 25.5 1.0
F3 A:KT5510 2.2 23.3 1.0
C10 A:KT5510 2.8 24.6 1.0
OA2 A:KT5510 2.9 24.8 1.0
O A:HOH530 3.1 21.9 1.0
O A:HOH542 3.2 23.6 1.0
OA1 A:KT5510 3.4 21.9 1.0
CE A:MET89 3.7 29.3 1.0
C11 A:KT5510 3.8 23.8 1.0
O A:PHE88 3.8 18.2 1.0
C16 A:KT5510 3.8 24.1 1.0
OD1 A:ASN106 3.9 20.0 1.0
C1 A:KT5510 4.0 26.7 1.0
O A:ILE107 4.1 19.5 1.0
ND2 A:ASN106 4.3 18.1 1.0
CG A:ASN106 4.5 20.3 1.0
O A:HOH579 4.5 34.5 1.0
C2 A:KT5510 4.6 23.9 1.0
SD A:MET89 4.6 27.2 1.0
C A:PHE88 4.9 19.3 1.0
ND1 A:HIS108 4.9 17.4 1.0

Fluorine binding site 3 out of 6 in 1rbm

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Fluorine binding site 3 out of 6 in the Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F510

b:23.3
occ:1.00
 F3 A:KT5510 0.0 23.3 1.0
C6 A:KT5510 1.3 22.4 1.0
F2 A:KT5510 2.2 23.4 1.0
F1 A:KT5510 2.2 21.8 1.0
C5 A:KT5510 2.3 25.5 1.0
OA1 A:KT5510 2.7 21.9 1.0
OA2 A:KT5510 2.7 24.8 1.0
O A:HOH579 3.1 34.5 1.0
CD A:PRO109 3.3 19.5 1.0
ND1 A:HIS108 3.4 17.4 1.0
O A:HOH565 3.7 34.9 1.0
C10 A:KT5510 3.8 24.6 1.0
CE1 A:HIS108 4.0 19.4 1.0
O A:HOH530 4.1 21.9 1.0
O A:ILE107 4.1 19.5 1.0
CG A:PRO109 4.2 20.3 1.0
CA A:HIS108 4.3 19.5 1.0
CG A:HIS108 4.3 20.3 1.0
O A:GLY117 4.4 21.1 1.0
CA A:SER118 4.5 21.5 1.0
CE A:MET89 4.6 29.3 1.0
CB A:HIS108 4.6 19.4 1.0
N A:PRO109 4.6 19.7 1.0
C11 A:KT5510 4.6 23.8 1.0
C1 A:KT5510 4.9 26.7 1.0
ND2 A:ASN106 5.0 18.1 1.0
OD1 A:ASP144 5.0 19.4 1.0
C A:HIS108 5.0 19.4 1.0

Fluorine binding site 4 out of 6 in 1rbm

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Fluorine binding site 4 out of 6 in the Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F610

b:28.9
occ:1.00
 F2 B:KT5610 0.0 28.9 1.0
C6 B:KT5610 1.4 31.6 1.0
F1 B:KT5610 2.2 30.2 1.0
F3 B:KT5610 2.3 33.1 1.0
C5 B:KT5610 2.5 33.4 1.0
OA1 B:KT5610 2.8 33.9 1.0
C10 B:KT5610 3.0 34.7 1.0
C11 B:KT5610 3.1 36.0 1.0
C16 B:KT5610 3.2 37.4 1.0
SD B:MET89 3.5 39.7 1.0
OA2 B:KT5610 3.5 32.3 1.0
O B:HOH686 3.5 37.4 1.0
CA B:SER118 3.8 31.8 1.0
CB B:SER118 4.0 32.9 1.0
C12 B:KT5610 4.0 36.3 1.0
CE B:MET89 4.2 41.4 1.0
O B:HOH635 4.2 30.4 1.0
C15 B:KT5610 4.2 38.8 1.0
C1 B:KT5610 4.5 34.8 1.0
N B:SER118 4.5 31.5 1.0
O B:GLY117 4.6 29.2 1.0
C B:GLY117 4.8 30.3 1.0
C B:SER118 4.8 31.1 1.0
O B:SER118 4.8 31.4 1.0
C13 B:KT5610 4.8 38.5 1.0
C14 B:KT5610 4.9 39.8 1.0

Fluorine binding site 5 out of 6 in 1rbm

Go back to Fluorine Binding Sites List in 1rbm
Fluorine binding site 5 out of 6 in the Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F610

b:30.2
occ:1.00
 F1 B:KT5610 0.0 30.2 1.0
C6 B:KT5610 1.3 31.6 1.0
C5 B:KT5610 2.1 33.4 1.0
F2 B:KT5610 2.2 28.9 1.0
F3 B:KT5610 2.2 33.1 1.0
C10 B:KT5610 2.7 34.7 1.0
OA2 B:KT5610 2.7 32.3 1.0
O B:HOH667 3.2 25.3 1.0
O B:HOH647 3.2 25.4 1.0
OA1 B:KT5610 3.5 33.9 1.0
C11 B:KT5610 3.7 36.0 1.0
C16 B:KT5610 3.8 37.4 1.0
C1 B:KT5610 3.9 34.8 1.0
O B:PHE88 4.1 29.8 1.0
OD1 B:ASN106 4.1 28.7 1.0
O B:ILE107 4.1 23.5 1.0
C2 B:KT5610 4.3 32.9 1.0
SD B:MET89 4.3 39.7 1.0
ND2 B:ASN106 4.3 25.6 1.0
O B:HOH686 4.6 37.4 1.0
CG B:ASN106 4.7 27.6 1.0

Fluorine binding site 6 out of 6 in 1rbm

Go back to Fluorine Binding Sites List in 1rbm
Fluorine binding site 6 out of 6 in the Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human Gar Tfase Complex Structure with Polyglutamated 10- (Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F610

b:33.1
occ:1.00
 F3 B:KT5610 0.0 33.1 1.0
C6 B:KT5610 1.3 31.6 1.0
F1 B:KT5610 2.2 30.2 1.0
F2 B:KT5610 2.3 28.9 1.0
C5 B:KT5610 2.4 33.4 1.0
OA2 B:KT5610 2.6 32.3 1.0
OA1 B:KT5610 2.8 33.9 1.0
O B:HOH686 3.1 37.4 1.0
CD B:PRO109 3.4 20.6 1.0
O B:HOH635 3.5 30.4 1.0
ND1 B:HIS108 3.6 24.5 1.0
C10 B:KT5610 3.8 34.7 1.0
O B:HOH667 4.1 25.3 1.0
O B:ILE107 4.1 23.5 1.0
CG B:PRO109 4.2 19.3 1.0
CA B:HIS108 4.3 22.0 1.0
CE1 B:HIS108 4.3 24.0 1.0
CG B:HIS108 4.5 24.1 1.0
O B:GLY117 4.6 29.2 1.0
C11 B:KT5610 4.6 36.0 1.0
CB B:HIS108 4.6 22.3 1.0
N B:PRO109 4.6 20.4 1.0
O B:HOH680 4.8 26.6 1.0
CA B:SER118 4.9 31.8 1.0
C1 B:KT5610 4.9 34.8 1.0

Reference:

Y.Zhang, J.Desharnais, D.L.Boger, I.A.Wilson. Human Gar Tfase Complex Structure To Be Published.
Page generated: Wed Jul 31 12:35:52 2024

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