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Fluorine in PDB 1rc0: 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: 1rc0 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) 35.58 / 2.05
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.305, 126.305, 93.598, 90.00, 90.00, 120.00
R / Rfree (%) 22.2 / 24.3

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 1rc0). 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: 1rc0:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1rc0

Go back to Fluorine Binding Sites List in 1rc0
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:39.8
occ:1.00
 F2 A:KT5510 0.0 39.8 1.0
C6 A:KT5510 1.4 40.8 1.0
F1 A:KT5510 2.1 40.6 1.0
F3 A:KT5510 2.2 40.5 1.0
C5 A:KT5510 2.5 42.2 1.0
OA1 A:KT5510 2.6 40.2 1.0
C10 A:KT5510 3.1 43.9 1.0
C11 A:KT5510 3.2 46.5 1.0
C16 A:KT5510 3.3 48.3 1.0
CE A:MET89 3.4 44.1 1.0
OA2 A:KT5510 3.5 40.5 1.0
O A:HOH561 3.6 39.1 1.0
CA A:SER118 3.6 37.0 1.0
CB A:SER118 3.7 38.6 1.0
SD A:MET89 3.7 44.9 1.0
C12 A:KT5510 4.1 48.1 1.0
C15 A:KT5510 4.2 51.0 1.0
O A:HOH537 4.2 38.3 1.0
N A:SER118 4.5 36.9 1.0
C1 A:KT5510 4.6 45.0 1.0
C A:SER118 4.6 36.9 1.0
O A:SER118 4.6 37.5 1.0
O A:GLY117 4.7 33.8 1.0
C A:GLY117 4.8 35.1 1.0
C13 A:KT5510 4.9 50.9 1.0
C14 A:KT5510 4.9 52.2 1.0
O A:HOH527 5.0 29.4 1.0

Fluorine binding site 2 out of 6 in 1rc0

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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:40.6
occ:1.00
 F1 A:KT5510 0.0 40.6 1.0
C6 A:KT5510 1.3 40.8 1.0
F2 A:KT5510 2.1 39.8 1.0
C5 A:KT5510 2.2 42.2 1.0
F3 A:KT5510 2.2 40.5 1.0
C10 A:KT5510 2.7 43.9 1.0
OA2 A:KT5510 2.9 40.5 1.0
O A:HOH527 3.2 29.4 1.0
O A:HOH518 3.3 30.2 1.0
CE A:MET89 3.4 44.1 1.0
OA1 A:KT5510 3.4 40.2 1.0
C11 A:KT5510 3.7 46.5 1.0
C16 A:KT5510 3.7 48.3 1.0
C1 A:KT5510 4.0 45.0 1.0
O A:PHE88 4.0 37.0 1.0
OD1 A:ASN106 4.1 31.3 1.0
O A:ILE107 4.2 27.4 1.0
C2 A:KT5510 4.3 42.5 1.0
SD A:MET89 4.4 44.9 1.0
ND2 A:ASN106 4.4 31.4 1.0
O A:HOH561 4.6 39.1 1.0
CG A:ASN106 4.7 31.1 1.0
C15 A:KT5510 5.0 51.0 1.0

Fluorine binding site 3 out of 6 in 1rc0

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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:40.5
occ:1.00
 F3 A:KT5510 0.0 40.5 1.0
C6 A:KT5510 1.3 40.8 1.0
F1 A:KT5510 2.2 40.6 1.0
F2 A:KT5510 2.2 39.8 1.0
C5 A:KT5510 2.4 42.2 1.0
OA2 A:KT5510 2.7 40.5 1.0
OA1 A:KT5510 2.9 40.2 1.0
O A:HOH561 3.2 39.1 1.0
CD A:PRO109 3.4 25.3 1.0
ND1 A:HIS108 3.6 27.9 1.0
O A:HOH537 3.6 38.3 1.0
C10 A:KT5510 3.8 43.9 1.0
O A:HOH527 3.9 29.4 1.0
O A:ILE107 4.0 27.4 1.0
CA A:HIS108 4.2 25.6 1.0
CG A:PRO109 4.2 25.6 1.0
CE1 A:HIS108 4.3 27.6 1.0
CG A:HIS108 4.4 25.6 1.0
CE A:MET89 4.5 44.1 1.0
CB A:HIS108 4.6 25.5 1.0
N A:PRO109 4.6 24.7 1.0
C11 A:KT5510 4.7 46.5 1.0
O A:GLY117 4.8 33.8 1.0
CA A:SER118 4.8 37.0 1.0
C1 A:KT5510 5.0 45.0 1.0
C A:ILE107 5.0 26.6 1.0
ND2 A:ASN106 5.0 31.4 1.0
C A:HIS108 5.0 24.6 1.0

Fluorine binding site 4 out of 6 in 1rc0

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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:29.7
occ:1.00
 F2 B:KT5610 0.0 29.7 1.0
C6 B:KT5610 1.4 28.1 1.0
F1 B:KT5610 2.1 26.7 1.0
F3 B:KT5610 2.3 28.3 1.0
C5 B:KT5610 2.5 29.3 1.0
OA1 B:KT5610 2.7 27.4 1.0
C10 B:KT5610 2.9 30.2 1.0
CE B:MET89 3.2 34.4 1.0
C11 B:KT5610 3.2 29.3 1.0
C16 B:KT5610 3.3 28.9 1.0
CB B:SER118 3.4 29.2 1.0
CA B:SER118 3.5 28.1 1.0
SD B:MET89 3.5 34.5 1.0
OA2 B:KT5610 3.6 28.5 1.0
O B:HOH636 3.7 35.5 1.0
C12 B:KT5610 4.2 30.2 1.0
C15 B:KT5610 4.2 30.9 1.0
C1 B:KT5610 4.2 30.2 1.0
N B:SER118 4.2 27.9 1.0
O B:HOH694 4.4 46.1 1.0
C B:SER118 4.5 28.0 1.0
O B:SER118 4.6 28.5 1.0
O B:GLY117 4.6 26.6 1.0
C B:GLY117 4.7 27.1 1.0
OG B:SER118 4.8 31.1 1.0
O B:PHE88 4.9 26.9 1.0
C13 B:KT5610 4.9 30.6 1.0
C14 B:KT5610 4.9 31.4 1.0
O B:HOH618 5.0 27.7 1.0

Fluorine binding site 5 out of 6 in 1rc0

Go back to Fluorine Binding Sites List in 1rc0
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:26.7
occ:1.00
 F1 B:KT5610 0.0 26.7 1.0
C6 B:KT5610 1.3 28.1 1.0
F2 B:KT5610 2.1 29.7 1.0
C5 B:KT5610 2.2 29.3 1.0
F3 B:KT5610 2.2 28.3 1.0
C10 B:KT5610 2.6 30.2 1.0
OA2 B:KT5610 2.8 28.5 1.0
O B:HOH618 3.2 27.7 1.0
C1 B:KT5610 3.2 30.2 1.0
O B:HOH612 3.2 26.7 1.0
CE B:MET89 3.4 34.4 1.0
OA1 B:KT5610 3.5 27.4 1.0
C11 B:KT5610 3.7 29.3 1.0
C16 B:KT5610 3.8 28.9 1.0
O B:PHE88 4.0 26.9 1.0
OD1 B:ASN106 4.1 25.7 1.0
O B:ILE107 4.2 24.1 1.0
ND2 B:ASN106 4.3 24.0 1.0
SD B:MET89 4.4 34.5 1.0
C2 B:KT5610 4.6 30.4 1.0
O B:HOH636 4.6 35.5 1.0
CG B:ASN106 4.6 25.2 1.0
ND1 B:HIS108 5.0 23.8 1.0

Fluorine binding site 6 out of 6 in 1rc0

Go back to Fluorine Binding Sites List in 1rc0
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:28.3
occ:1.00
 F3 B:KT5610 0.0 28.3 1.0
C6 B:KT5610 1.3 28.1 1.0
F1 B:KT5610 2.2 26.7 1.0
F2 B:KT5610 2.3 29.7 1.0
C5 B:KT5610 2.3 29.3 1.0
OA2 B:KT5610 2.7 28.5 1.0
OA1 B:KT5610 2.8 27.4 1.0
O B:HOH636 3.2 35.5 1.0
CD B:PRO109 3.4 22.1 1.0
ND1 B:HIS108 3.5 23.8 1.0
O B:HOH694 3.5 46.1 1.0
C10 B:KT5610 3.7 30.2 1.0
O B:HOH618 4.0 27.7 1.0
CE1 B:HIS108 4.1 24.0 1.0
O B:ILE107 4.2 24.1 1.0
CG B:PRO109 4.3 22.9 1.0
CA B:HIS108 4.3 22.6 1.0
CG B:HIS108 4.4 23.1 1.0
CE B:MET89 4.4 34.4 1.0
CA B:SER118 4.4 28.1 1.0
O B:GLY117 4.4 26.6 1.0
C1 B:KT5610 4.5 30.2 1.0
CB B:HIS108 4.6 22.5 1.0
N B:PRO109 4.6 22.1 1.0
C11 B:KT5610 4.7 29.3 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 12:36:39 2024

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