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Fluorine in PDB 1rc1: 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: 1rc1 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) 47.14 / 2.25
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.664, 126.664, 93.680, 90.00, 90.00, 120.00
R / Rfree (%) 23.4 / 25.6

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 1rc1). 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: 1rc1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1rc1

Go back to Fluorine Binding Sites List in 1rc1
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:27.7
occ:1.00
 F2 A:KT3510 0.0 27.7 1.0
C6 A:KT3510 1.4 26.9 1.0
F1 A:KT3510 2.1 25.1 1.0
F3 A:KT3510 2.3 27.7 1.0
C5 A:KT3510 2.5 28.5 1.0
OA1 A:KT3510 2.7 27.7 1.0
C10 A:KT3510 2.8 27.6 1.0
C11 A:KT3510 3.2 26.5 1.0
CE A:MET89 3.2 33.8 1.0
C16 A:KT3510 3.3 24.4 1.0
OA2 A:KT3510 3.5 29.6 1.0
O A:HOH558 3.6 35.9 1.0
SD A:MET89 3.6 34.0 1.0
CA A:SER118 3.6 30.8 1.0
CB A:SER118 3.8 32.0 1.0
C1 A:KT3510 4.0 27.4 1.0
C12 A:KT3510 4.1 26.0 1.0
C15 A:KT3510 4.2 24.5 1.0
N A:SER118 4.3 30.2 1.0
O A:HOH577 4.4 40.3 1.0
O A:GLY117 4.6 28.4 1.0
C A:GLY117 4.7 29.4 1.0
C A:SER118 4.7 30.6 1.0
O A:SER118 4.7 31.1 1.0
O A:PHE88 4.8 27.0 1.0
C13 A:KT3510 4.9 24.1 1.0
C14 A:KT3510 4.9 25.0 1.0
O A:HOH544 4.9 30.5 1.0

Fluorine binding site 2 out of 6 in 1rc1

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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:25.1
occ:1.00
 F1 A:KT3510 0.0 25.1 1.0
C6 A:KT3510 1.3 26.9 1.0
F2 A:KT3510 2.1 27.7 1.0
C5 A:KT3510 2.1 28.5 1.0
F3 A:KT3510 2.2 27.7 1.0
C10 A:KT3510 2.5 27.6 1.0
OA2 A:KT3510 2.8 29.6 1.0
C1 A:KT3510 2.9 27.4 1.0
O A:HOH544 3.2 30.5 1.0
O A:HOH526 3.4 26.2 1.0
OA1 A:KT3510 3.4 27.7 1.0
CE A:MET89 3.6 33.8 1.0
C11 A:KT3510 3.8 26.5 1.0
C16 A:KT3510 3.9 24.4 1.0
O A:PHE88 4.0 27.0 1.0
OD1 A:ASN106 4.1 25.9 1.0
O A:ILE107 4.1 26.1 1.0
ND2 A:ASN106 4.2 28.2 1.0
O A:HOH558 4.5 35.9 1.0
C2 A:KT3510 4.6 26.5 1.0
CG A:ASN106 4.6 26.5 1.0
SD A:MET89 4.6 34.0 1.0
ND1 A:HIS108 4.9 24.9 1.0

Fluorine binding site 3 out of 6 in 1rc1

Go back to Fluorine Binding Sites List in 1rc1
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:27.7
occ:1.00
 F3 A:KT3510 0.0 27.7 1.0
C6 A:KT3510 1.3 26.9 1.0
F1 A:KT3510 2.2 25.1 1.0
F2 A:KT3510 2.3 27.7 1.0
C5 A:KT3510 2.4 28.5 1.0
OA2 A:KT3510 2.7 29.6 1.0
OA1 A:KT3510 2.8 27.7 1.0
O A:HOH558 3.1 35.9 1.0
CD A:PRO109 3.3 25.3 1.0
ND1 A:HIS108 3.4 24.9 1.0
O A:HOH577 3.5 40.3 1.0
C10 A:KT3510 3.6 27.6 1.0
CG A:PRO109 4.1 24.9 1.0
CE1 A:HIS108 4.1 25.2 1.0
O A:HOH544 4.2 30.5 1.0
CA A:HIS108 4.2 24.9 1.0
O A:ILE107 4.2 26.1 1.0
CG A:HIS108 4.3 26.0 1.0
O A:GLY117 4.4 28.4 1.0
CE A:MET89 4.5 33.8 1.0
C1 A:KT3510 4.5 27.4 1.0
N A:PRO109 4.5 24.9 1.0
CB A:HIS108 4.5 24.8 1.0
CA A:SER118 4.6 30.8 1.0
C11 A:KT3510 4.7 26.5 1.0
C A:HIS108 4.9 24.7 1.0
O A:HOH545 5.0 30.1 1.0

Fluorine binding site 4 out of 6 in 1rc1

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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:33.5
occ:1.00
 F2 B:KT3610 0.0 33.5 1.0
C6 B:KT3610 1.4 35.4 1.0
F1 B:KT3610 2.1 34.7 1.0
F3 B:KT3610 2.3 36.5 1.0
C5 B:KT3610 2.5 36.2 1.0
OA1 B:KT3610 2.7 35.6 1.0
C10 B:KT3610 2.9 36.4 1.0
C11 B:KT3610 3.3 37.1 1.0
C16 B:KT3610 3.5 37.8 1.0
OA2 B:KT3610 3.5 36.3 1.0
CA B:SER118 3.7 42.6 1.0
CB B:SER118 3.8 44.4 1.0
SD B:MET89 3.8 55.7 1.0
CE B:MET89 4.2 57.7 1.0
C1 B:KT3610 4.2 35.7 1.0
C12 B:KT3610 4.2 37.8 1.0
O B:HOH631 4.3 46.3 1.0
C15 B:KT3610 4.4 39.1 1.0
N B:SER118 4.6 42.8 1.0
O B:GLY117 4.7 39.0 1.0
C B:SER118 4.7 42.2 1.0
O B:SER118 4.7 42.7 1.0
C B:GLY117 4.8 40.8 1.0
O B:HOH657 4.9 43.1 1.0

Fluorine binding site 5 out of 6 in 1rc1

Go back to Fluorine Binding Sites List in 1rc1
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:34.7
occ:1.00
 F1 B:KT3610 0.0 34.7 1.0
C6 B:KT3610 1.3 35.4 1.0
F2 B:KT3610 2.1 33.5 1.0
C5 B:KT3610 2.2 36.2 1.0
F3 B:KT3610 2.2 36.5 1.0
C10 B:KT3610 2.5 36.4 1.0
OA2 B:KT3610 2.8 36.3 1.0
C1 B:KT3610 3.1 35.7 1.0
O B:HOH657 3.2 43.1 1.0
O B:HOH630 3.3 36.5 1.0
OA1 B:KT3610 3.5 35.6 1.0
C11 B:KT3610 3.8 37.1 1.0
C16 B:KT3610 4.0 37.8 1.0
O B:PHE88 4.0 45.1 1.0
OD1 B:ASN106 4.1 37.1 1.0
O B:ILE107 4.2 31.6 1.0
SD B:MET89 4.4 55.7 1.0
ND2 B:ASN106 4.5 36.0 1.0
C2 B:KT3610 4.7 33.8 1.0
CG B:ASN106 4.7 35.3 1.0

Fluorine binding site 6 out of 6 in 1rc1

Go back to Fluorine Binding Sites List in 1rc1
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:36.5
occ:1.00
 F3 B:KT3610 0.0 36.5 1.0
C6 B:KT3610 1.3 35.4 1.0
F1 B:KT3610 2.2 34.7 1.0
F2 B:KT3610 2.3 33.5 1.0
C5 B:KT3610 2.4 36.2 1.0
OA2 B:KT3610 2.7 36.3 1.0
OA1 B:KT3610 2.9 35.6 1.0
CD B:PRO109 3.3 29.4 1.0
ND1 B:HIS108 3.6 33.9 1.0
C10 B:KT3610 3.7 36.4 1.0
O B:HOH631 3.8 46.3 1.0
O B:HOH657 3.8 43.1 1.0
O B:ILE107 3.9 31.6 1.0
CA B:HIS108 4.1 29.7 1.0
CG B:PRO109 4.2 29.3 1.0
CE1 B:HIS108 4.3 32.7 1.0
CG B:HIS108 4.4 30.9 1.0
N B:PRO109 4.5 28.6 1.0
CB B:HIS108 4.6 30.3 1.0
C1 B:KT3610 4.7 35.7 1.0
O B:HOH645 4.7 35.0 1.0
O B:GLY117 4.8 39.0 1.0
C11 B:KT3610 4.8 37.1 1.0
C B:ILE107 4.8 31.5 1.0
ND2 B:ASN106 4.9 36.0 1.0
C B:HIS108 4.9 29.0 1.0
CA B:SER118 4.9 42.6 1.0
N B:HIS108 5.0 30.5 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 12:36:46 2024

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