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Fluorine in PDB 1rbz: 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: 1rbz 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) 47.00 / 2.10
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.157, 126.157, 93.987, 90.00, 90.00, 120.00
R / Rfree (%) 24.5 / 27

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

Fluorine binding site 1 out of 6 in 1rbz

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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:30.9
occ:1.00
 F2 A:KT5510 0.0 30.9 1.0
C6 A:KT5510 1.4 30.6 1.0
F1 A:KT5510 2.1 31.3 1.0
F3 A:KT5510 2.3 31.0 1.0
C5 A:KT5510 2.6 31.9 1.0
OA1 A:KT5510 2.6 29.2 1.0
C10 A:KT5510 3.1 31.6 1.0
CE A:MET89 3.2 41.3 1.0
C11 A:KT5510 3.3 31.8 1.0
CB A:SER118 3.4 31.3 1.0
CA A:SER118 3.5 30.4 1.0
SD A:MET89 3.5 41.1 1.0
C16 A:KT5510 3.5 32.2 1.0
OA2 A:KT5510 3.7 33.5 1.0
C1 A:KT5510 4.1 29.8 1.0
C12 A:KT5510 4.2 32.1 1.0
N A:SER118 4.2 30.5 1.0
O A:HOH577 4.3 36.7 1.0
O A:HOH584 4.3 44.1 1.0
C15 A:KT5510 4.5 34.4 1.0
C A:SER118 4.6 31.6 1.0
O A:SER118 4.6 32.7 1.0
C A:GLY117 4.6 30.8 1.0
O A:GLY117 4.6 31.1 1.0
OG A:SER118 4.8 32.0 1.0
O A:PHE88 4.9 30.6 1.0
O A:HOH522 4.9 31.6 1.0
C13 A:KT5510 5.0 31.0 1.0

Fluorine binding site 2 out of 6 in 1rbz

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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:31.3
occ:1.00
 F1 A:KT5510 0.0 31.3 1.0
C6 A:KT5510 1.3 30.6 1.0
F2 A:KT5510 2.1 30.9 1.0
C5 A:KT5510 2.2 31.9 1.0
F3 A:KT5510 2.2 31.0 1.0
C10 A:KT5510 2.7 31.6 1.0
C1 A:KT5510 3.0 29.8 1.0
OA2 A:KT5510 3.0 33.5 1.0
O A:HOH522 3.2 31.6 1.0
O A:HOH520 3.3 30.0 1.0
OA1 A:KT5510 3.4 29.2 1.0
CE A:MET89 3.4 41.3 1.0
O A:HOH577 3.6 36.7 1.0
C11 A:KT5510 3.7 31.8 1.0
C16 A:KT5510 3.9 32.2 1.0
O A:PHE88 3.9 30.6 1.0
OD1 A:ASN106 4.2 30.2 1.0
O A:ILE107 4.3 27.0 1.0
ND2 A:ASN106 4.4 27.0 1.0
SD A:MET89 4.5 41.1 1.0
C2 A:KT5510 4.7 32.4 1.0
CG A:ASN106 4.7 30.3 1.0
ND1 A:HIS108 4.9 27.6 1.0
C A:PHE88 4.9 30.7 1.0

Fluorine binding site 3 out of 6 in 1rbz

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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:31.0
occ:1.00
 F3 A:KT5510 0.0 31.0 1.0
C6 A:KT5510 1.4 30.6 1.0
F1 A:KT5510 2.2 31.3 1.0
F2 A:KT5510 2.3 30.9 1.0
C5 A:KT5510 2.4 31.9 1.0
OA1 A:KT5510 2.7 29.2 1.0
OA2 A:KT5510 2.8 33.5 1.0
O A:HOH577 3.2 36.7 1.0
CD A:PRO109 3.3 28.6 1.0
ND1 A:HIS108 3.4 27.6 1.0
O A:HOH584 3.5 44.1 1.0
C10 A:KT5510 3.8 31.6 1.0
O A:HOH522 4.0 31.6 1.0
CE1 A:HIS108 4.1 26.4 1.0
CG A:PRO109 4.2 27.0 1.0
CA A:HIS108 4.2 26.4 1.0
O A:ILE107 4.2 27.0 1.0
CG A:HIS108 4.3 27.1 1.0
O A:GLY117 4.5 31.1 1.0
CA A:SER118 4.5 30.4 1.0
CE A:MET89 4.5 41.3 1.0
N A:PRO109 4.5 26.2 1.0
CB A:HIS108 4.6 24.2 1.0
C1 A:KT5510 4.6 29.8 1.0
C11 A:KT5510 4.7 31.8 1.0
C A:HIS108 5.0 25.9 1.0

Fluorine binding site 4 out of 6 in 1rbz

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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:41.2
occ:1.00
 F2 B:KT5610 0.0 41.2 1.0
C6 B:KT5610 1.4 42.9 1.0
F1 B:KT5610 2.1 43.8 1.0
F3 B:KT5610 2.3 44.8 1.0
C5 B:KT5610 2.5 44.0 1.0
OA1 B:KT5610 2.7 39.5 1.0
C10 B:KT5610 3.0 45.1 1.0
CE B:MET89 3.2 53.2 1.0
C11 B:KT5610 3.2 48.1 1.0
CB B:SER118 3.5 47.6 1.0
O B:HOH677 3.5 43.9 1.0
C16 B:KT5610 3.6 51.6 1.0
CA B:SER118 3.6 45.3 1.0
SD B:MET89 3.6 53.7 1.0
OA2 B:KT5610 3.6 40.2 1.0
C12 B:KT5610 4.1 51.0 1.0
O B:HOH629 4.2 36.5 1.0
C1 B:KT5610 4.2 44.2 1.0
N B:SER118 4.4 44.0 1.0
C15 B:KT5610 4.5 55.0 1.0
C B:SER118 4.7 45.3 1.0
O B:GLY117 4.7 41.6 1.0
O B:SER118 4.7 45.5 1.0
C B:GLY117 4.8 42.8 1.0
OG B:SER118 4.9 48.9 1.0
C13 B:KT5610 4.9 53.7 1.0

Fluorine binding site 5 out of 6 in 1rbz

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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:43.8
occ:1.00
 F1 B:KT5610 0.0 43.8 1.0
C6 B:KT5610 1.3 42.9 1.0
F2 B:KT5610 2.1 41.2 1.0
C5 B:KT5610 2.2 44.0 1.0
F3 B:KT5610 2.3 44.8 1.0
C10 B:KT5610 2.7 45.1 1.0
OA2 B:KT5610 2.9 40.2 1.0
C1 B:KT5610 3.1 44.2 1.0
CE B:MET89 3.2 53.2 1.0
O B:HOH653 3.3 39.2 1.0
O B:HOH639 3.4 36.5 1.0
OA1 B:KT5610 3.4 39.5 1.0
C11 B:KT5610 3.7 48.1 1.0
C16 B:KT5610 3.9 51.6 1.0
O B:PHE88 4.0 43.3 1.0
OD1 B:ASN106 4.1 36.4 1.0
O B:ILE107 4.3 29.5 1.0
SD B:MET89 4.4 53.7 1.0
O B:HOH677 4.5 43.9 1.0
ND2 B:ASN106 4.5 35.6 1.0
C2 B:KT5610 4.7 41.4 1.0
CG B:ASN106 4.8 34.5 1.0
ND1 B:HIS108 4.9 27.9 1.0
C12 B:KT5610 5.0 51.0 1.0

Fluorine binding site 6 out of 6 in 1rbz

Go back to Fluorine Binding Sites List in 1rbz
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:44.8
occ:1.00
 F3 B:KT5610 0.0 44.8 1.0
C6 B:KT5610 1.4 42.9 1.0
F1 B:KT5610 2.3 43.8 1.0
F2 B:KT5610 2.3 41.2 1.0
C5 B:KT5610 2.4 44.0 1.0
OA1 B:KT5610 2.7 39.5 1.0
OA2 B:KT5610 2.8 40.2 1.0
O B:HOH677 3.0 43.9 1.0
CD B:PRO109 3.3 25.1 1.0
O B:HOH629 3.4 36.5 1.0
ND1 B:HIS108 3.4 27.9 1.0
C10 B:KT5610 3.8 45.1 1.0
CE1 B:HIS108 4.0 27.7 1.0
CG B:PRO109 4.2 26.6 1.0
O B:ILE107 4.2 29.5 1.0
O B:HOH653 4.3 39.2 1.0
CA B:HIS108 4.3 26.7 1.0
CG B:HIS108 4.4 27.2 1.0
N B:PRO109 4.5 26.5 1.0
O B:GLY117 4.6 41.6 1.0
CE B:MET89 4.6 53.2 1.0
CA B:SER118 4.6 45.3 1.0
C1 B:KT5610 4.7 44.2 1.0
C11 B:KT5610 4.7 48.1 1.0
CB B:HIS108 4.7 27.1 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 12:36:37 2024

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