Atomistry » Fluorine » PDB 1fko-1h1d » 1g4t
Atomistry »
  Fluorine »
    PDB 1fko-1h1d »
      1g4t »

Fluorine in PDB 1g4t: Thiamin Phosphate Synthase

Enzymatic activity of Thiamin Phosphate Synthase

All present enzymatic activity of Thiamin Phosphate Synthase:
2.5.1.3;

Protein crystallography data

The structure of Thiamin Phosphate Synthase, PDB code: 1g4t was solved by D.H.Peapus, H.-J.Chiu, N.Campobasso, J.J.Reddick, T.P.Begley, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.94 / 1.55
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.790, 76.790, 140.330, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 23.9

Other elements in 1g4t:

The structure of Thiamin Phosphate Synthase also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Thiamin Phosphate Synthase (pdb code 1g4t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Thiamin Phosphate Synthase, PDB code: 1g4t:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1g4t

Go back to Fluorine Binding Sites List in 1g4t
Fluorine binding site 1 out of 6 in the Thiamin Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Thiamin Phosphate Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:13.2
occ:1.00
 F1 A:FTP2001 0.0 13.2 1.0
CM2 A:FTP2001 1.3 10.7 1.0
F3 A:FTP2001 2.1 8.7 1.0
F2 A:FTP2001 2.1 11.2 1.0
C2A A:FTP2001 2.3 9.7 1.0
N1A A:FTP2001 3.0 11.2 1.0
N3A A:FTP2001 3.2 9.1 1.0
OG A:SER206 3.2 10.9 1.0
CB A:SER206 3.4 9.0 1.0
CE2 A:TYR29 3.6 7.2 1.0
CG1 A:VAL184 3.7 8.4 1.0
CD2 A:TYR29 3.7 6.1 1.0
CD1 A:ILE31 3.7 9.9 1.0
CD1 A:ILE186 3.9 9.3 1.0
C6A A:FTP2001 4.2 12.5 1.0
C4A A:FTP2001 4.3 9.9 1.0
CZ A:TYR29 4.4 7.9 1.0
CG A:TYR29 4.5 6.0 1.0
CB A:ILE186 4.5 9.8 1.0
NE2 A:GLN57 4.6 6.5 1.0
CG2 A:VAL184 4.6 8.4 1.0
CG1 A:ILE186 4.7 9.9 1.0
CG1 A:ILE31 4.7 7.1 1.0
CB A:VAL184 4.8 8.1 1.0
C5A A:FTP2001 4.8 10.4 1.0
CE1 A:HIS107 4.8 6.2 1.0
CA A:GLY149 4.8 9.4 1.0
CE1 A:TYR147 4.9 11.0 1.0
CG2 A:ILE186 4.9 9.6 1.0
CA A:SER206 4.9 7.7 1.0
OH A:TYR29 4.9 7.4 1.0

Fluorine binding site 2 out of 6 in 1g4t

Go back to Fluorine Binding Sites List in 1g4t
Fluorine binding site 2 out of 6 in the Thiamin Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Thiamin Phosphate Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:11.2
occ:1.00
 F2 A:FTP2001 0.0 11.2 1.0
CM2 A:FTP2001 1.3 10.7 1.0
F1 A:FTP2001 2.1 13.2 1.0
F3 A:FTP2001 2.2 8.7 1.0
C2A A:FTP2001 2.3 9.7 1.0
N3A A:FTP2001 2.6 9.1 1.0
NE2 A:GLN57 3.0 6.5 1.0
CE2 A:TYR29 3.0 7.2 1.0
ND1 A:HIS107 3.2 8.9 1.0
OH A:TYR147 3.3 9.4 1.0
OH A:TYR29 3.3 7.4 1.0
CZ A:TYR29 3.3 7.9 1.0
CE1 A:HIS107 3.4 6.2 1.0
N1A A:FTP2001 3.5 11.2 1.0
CE1 A:TYR147 3.8 11.0 1.0
CD2 A:TYR29 3.8 6.1 1.0
CG A:HIS107 3.8 7.5 1.0
C4A A:FTP2001 4.0 9.9 1.0
CZ A:TYR147 4.0 10.1 1.0
NE2 A:HIS107 4.0 8.5 1.0
CD1 A:ILE31 4.1 9.9 1.0
CD A:GLN57 4.2 5.6 1.0
CD2 A:HIS107 4.3 9.6 1.0
CE1 A:TYR29 4.4 6.5 1.0
CB A:HIS107 4.6 8.3 1.0
C6A A:FTP2001 4.6 12.5 1.0
CG1 A:VAL184 4.7 8.4 1.0
N4A A:FTP2001 4.7 10.1 1.0
OG A:SER206 4.8 10.9 1.0
CG A:TYR29 4.8 6.0 1.0
OE1 A:GLN57 4.9 8.4 1.0
C5A A:FTP2001 4.9 10.4 1.0
CG1 A:ILE31 4.9 7.1 1.0
CD1 A:TYR29 5.0 7.2 1.0

Fluorine binding site 3 out of 6 in 1g4t

Go back to Fluorine Binding Sites List in 1g4t
Fluorine binding site 3 out of 6 in the Thiamin Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Thiamin Phosphate Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:8.7
occ:1.00
 F3 A:FTP2001 0.0 8.7 1.0
CM2 A:FTP2001 1.3 10.7 1.0
F1 A:FTP2001 2.1 13.2 1.0
F2 A:FTP2001 2.2 11.2 1.0
C2A A:FTP2001 2.3 9.7 1.0
N1A A:FTP2001 2.7 11.2 1.0
CE1 A:HIS107 3.1 6.2 1.0
CG1 A:VAL184 3.3 8.4 1.0
CA A:GLY149 3.3 9.4 1.0
CE1 A:TYR147 3.4 11.0 1.0
N3A A:FTP2001 3.4 9.1 1.0
ND1 A:HIS107 3.7 8.9 1.0
N A:GLY149 3.9 8.4 1.0
NE2 A:HIS107 3.9 8.5 1.0
C6A A:FTP2001 4.0 12.5 1.0
CE2 A:TYR29 4.1 7.2 1.0
CD1 A:TYR147 4.2 9.0 1.0
OH A:TYR147 4.2 9.4 1.0
CZ A:TYR147 4.3 10.1 1.0
C A:GLY149 4.5 9.7 1.0
C4A A:FTP2001 4.6 9.9 1.0
C A:VAL148 4.6 8.8 1.0
CD2 A:TYR29 4.6 6.1 1.0
CG A:HIS107 4.7 7.5 1.0
CB A:VAL184 4.8 8.1 1.0
O A:VAL148 4.8 9.3 1.0
CD2 A:HIS107 4.8 9.6 1.0
C5A A:FTP2001 4.8 10.4 1.0
O A:VAL184 5.0 8.4 1.0

Fluorine binding site 4 out of 6 in 1g4t

Go back to Fluorine Binding Sites List in 1g4t
Fluorine binding site 4 out of 6 in the Thiamin Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Thiamin Phosphate Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:10.8
occ:1.00
 F1 B:FTP2002 0.0 10.8 1.0
CM2 B:FTP2002 1.3 12.0 1.0
F3 B:FTP2002 2.1 13.2 1.0
F2 B:FTP2002 2.1 11.3 1.0
C2A B:FTP2002 2.3 10.9 1.0
N3A B:FTP2002 2.6 9.1 1.0
NE2 B:GLN1057 3.0 7.7 1.0
CE2 B:TYR1029 3.0 6.4 1.0
ND1 B:HIS1107 3.2 6.5 1.0
OH B:TYR1147 3.3 8.5 1.0
OH B:TYR1029 3.3 6.8 1.0
CZ B:TYR1029 3.3 7.0 1.0
CE1 B:HIS1107 3.4 6.9 1.0
N1A B:FTP2002 3.5 11.6 1.0
CG B:HIS1107 3.8 6.6 1.0
CE1 B:TYR1147 3.8 7.5 1.0
CD2 B:TYR1029 3.9 6.1 1.0
CZ B:TYR1147 4.0 6.8 1.0
NE2 B:HIS1107 4.0 8.5 1.0
C4A B:FTP2002 4.0 10.2 1.0
CD1 B:ILE1031 4.0 11.7 1.0
CD2 B:HIS1107 4.2 7.6 1.0
CD B:GLN1057 4.2 7.5 1.0
CE1 B:TYR1029 4.4 7.0 1.0
CB B:HIS1107 4.6 6.7 1.0
C6A B:FTP2002 4.7 15.1 1.0
CG1 B:VAL1184 4.7 8.1 1.0
N4A B:FTP2002 4.8 10.8 1.0
CG B:TYR1029 4.8 7.3 1.0
OG B:SER1206 4.8 11.2 1.0
OE1 B:GLN1057 4.8 8.6 1.0
C5A B:FTP2002 4.9 12.4 1.0
CG1 B:ILE1031 4.9 9.1 1.0
CD1 B:TYR1029 5.0 6.8 1.0

Fluorine binding site 5 out of 6 in 1g4t

Go back to Fluorine Binding Sites List in 1g4t
Fluorine binding site 5 out of 6 in the Thiamin Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Thiamin Phosphate Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:11.3
occ:1.00
 F2 B:FTP2002 0.0 11.3 1.0
CM2 B:FTP2002 1.3 12.0 1.0
F1 B:FTP2002 2.1 10.8 1.0
F3 B:FTP2002 2.2 13.2 1.0
C2A B:FTP2002 2.3 10.9 1.0
N1A B:FTP2002 2.7 11.6 1.0
CE1 B:HIS1107 3.1 6.9 1.0
CG1 B:VAL1184 3.3 8.1 1.0
CA B:GLY1149 3.3 7.2 1.0
CE1 B:TYR1147 3.4 7.5 1.0
N3A B:FTP2002 3.4 9.1 1.0
ND1 B:HIS1107 3.7 6.5 1.0
NE2 B:HIS1107 3.8 8.5 1.0
N B:GLY1149 3.9 6.3 1.0
C6A B:FTP2002 4.1 15.1 1.0
OH B:TYR1147 4.1 8.5 1.0
CE2 B:TYR1029 4.1 6.4 1.0
CZ B:TYR1147 4.2 6.8 1.0
CD1 B:TYR1147 4.2 7.9 1.0
C B:GLY1149 4.6 7.8 1.0
C4A B:FTP2002 4.6 10.2 1.0
CD2 B:TYR1029 4.6 6.1 1.0
CG B:HIS1107 4.6 6.6 1.0
C B:VAL1148 4.6 7.9 1.0
CD2 B:HIS1107 4.7 7.6 1.0
CB B:VAL1184 4.7 7.9 1.0
O B:VAL1148 4.8 7.0 1.0
C5A B:FTP2002 4.9 12.4 1.0
CZ B:TYR1029 5.0 7.0 1.0

Fluorine binding site 6 out of 6 in 1g4t

Go back to Fluorine Binding Sites List in 1g4t
Fluorine binding site 6 out of 6 in the Thiamin Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Thiamin Phosphate Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:13.2
occ:1.00
 F3 B:FTP2002 0.0 13.2 1.0
CM2 B:FTP2002 1.3 12.0 1.0
F1 B:FTP2002 2.1 10.8 1.0
F2 B:FTP2002 2.2 11.3 1.0
C2A B:FTP2002 2.2 10.9 1.0
N1A B:FTP2002 2.9 11.6 1.0
N3A B:FTP2002 3.1 9.1 1.0
OG B:SER1206 3.2 11.2 1.0
CB B:SER1206 3.4 11.1 1.0
CD1 B:ILE1031 3.6 11.7 1.0
CE2 B:TYR1029 3.7 6.4 1.0
CG1 B:VAL1184 3.7 8.1 1.0
CD2 B:TYR1029 3.7 6.1 1.0
CD1 B:ILE1186 3.9 10.6 1.0
C6A B:FTP2002 4.1 15.1 1.0
C4A B:FTP2002 4.3 10.2 1.0
CZ B:TYR1029 4.4 7.0 1.0
CB B:ILE1186 4.5 9.5 1.0
CG B:TYR1029 4.5 7.3 1.0
NE2 B:GLN1057 4.5 7.7 1.0
CG2 B:VAL1184 4.6 7.8 1.0
CG1 B:ILE1031 4.7 9.1 1.0
CG1 B:ILE1186 4.7 8.9 1.0
C5A B:FTP2002 4.8 12.4 1.0
CE1 B:HIS1107 4.8 6.9 1.0
CB B:VAL1184 4.8 7.9 1.0
CE1 B:TYR1147 4.9 7.5 1.0
CG2 B:ILE1186 4.9 9.7 1.0
CA B:GLY1149 4.9 7.2 1.0
OH B:TYR1029 4.9 6.8 1.0
CA B:SER1206 4.9 9.1 1.0

Reference:

D.H.Peapus, H.J.Chiu, N.Campobasso, J.J.Reddick, T.P.Begley, S.E.Ealick. Structural Characterization of the Enzyme-Substrate, Enzyme-Intermediate, and Enzyme-Product Complexes of Thiamin Phosphate Synthase. Biochemistry V. 40 10103 2001.
ISSN: ISSN 0006-2960
PubMed: 11513589
DOI: 10.1021/BI0104726
Page generated: Wed Jul 31 11:22:25 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy