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Fluorine in PDB 3o15: Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate

Enzymatic activity of Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate

All present enzymatic activity of Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate:
2.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate, PDB code: 3o15 was solved by K.M.Mcculloch, J.W.Hanes, S.Abdelwahed, N.Mahanta, A.Hazra, K.Ishida, 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) 28.35 / 1.95
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.020, 96.020, 59.340, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 23.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate (pdb code 3o15). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate, PDB code: 3o15:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3o15

Go back to Fluorine Binding Sites List in 3o15
Fluorine binding site 1 out of 3 in the Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F237

b:36.2
occ:1.00
F1 A:IFP237 0.0 36.2 1.0
CM2 A:IFP237 1.4 34.6 1.0
F2 A:IFP237 2.3 33.6 1.0
F3 A:IFP237 2.3 35.7 1.0
C2A A:IFP237 2.4 34.7 1.0
N1A A:IFP237 2.8 33.9 1.0
CE1 A:HIS107 3.1 20.3 1.0
CG1 A:VAL184 3.2 15.1 1.0
CA A:GLY149 3.3 21.7 1.0
CE1 A:TYR147 3.3 18.3 1.0
N3A A:IFP237 3.4 31.6 1.0
ND1 A:HIS107 3.6 20.4 1.0
N A:GLY149 3.9 20.3 1.0
NE2 A:HIS107 3.9 19.0 1.0
CE2 A:TYR29 4.1 15.8 1.0
C6A A:IFP237 4.1 36.2 1.0
CD1 A:TYR147 4.1 17.4 1.0
OH A:TYR147 4.1 17.3 1.0
CZ A:TYR147 4.2 17.6 1.0
C A:GLY149 4.5 22.9 1.0
CD2 A:TYR29 4.5 16.3 1.0
C4A A:IFP237 4.5 34.6 1.0
C A:VAL148 4.6 19.1 1.0
CG A:HIS107 4.6 17.5 1.0
CB A:VAL184 4.7 16.7 1.0
CD2 A:HIS107 4.7 21.0 1.0
O A:VAL148 4.8 17.2 1.0
C5A A:IFP237 4.9 33.3 1.0
O A:VAL184 4.9 19.2 1.0

Fluorine binding site 2 out of 3 in 3o15

Go back to Fluorine Binding Sites List in 3o15
Fluorine binding site 2 out of 3 in the Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F237

b:33.6
occ:1.00
F2 A:IFP237 0.0 33.6 1.0
CM2 A:IFP237 1.4 34.6 1.0
F1 A:IFP237 2.3 36.2 1.0
F3 A:IFP237 2.3 35.7 1.0
C2A A:IFP237 2.4 34.7 1.0
N1A A:IFP237 2.9 33.9 1.0
OG A:SER206 3.1 28.6 1.0
CB A:SER206 3.2 20.8 1.0
N3A A:IFP237 3.3 31.6 1.0
CG1 A:VAL184 3.4 15.1 1.0
CD1 A:ILE186 3.8 24.9 1.0
CD1 A:ILE31 3.9 23.7 1.0
CD2 A:TYR29 4.0 16.3 1.0
CB A:ILE186 4.0 20.7 1.0
CE2 A:TYR29 4.0 15.8 1.0
C6A A:IFP237 4.1 36.2 1.0
CG2 A:VAL184 4.3 17.8 1.0
CG1 A:ILE186 4.4 24.3 1.0
CG2 A:ILE186 4.4 22.9 1.0
CB A:VAL184 4.5 16.7 1.0
C4A A:IFP237 4.5 34.6 1.0
CA A:GLY149 4.6 21.7 1.0
CA A:SER206 4.7 18.7 1.0
CG A:TYR29 4.8 14.6 1.0
O A:GLY185 4.8 20.8 1.0
O A:VAL184 4.9 19.2 1.0
C5A A:IFP237 4.9 33.3 1.0
CZ A:TYR29 4.9 14.9 1.0
CG1 A:ILE31 5.0 20.1 1.0
CE1 A:HIS107 5.0 20.3 1.0

Fluorine binding site 3 out of 3 in 3o15

Go back to Fluorine Binding Sites List in 3o15
Fluorine binding site 3 out of 3 in the Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Bacillus Subtilis Thiamin Phosphate Synthase Complexed with A Carboxylated Thiazole Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F237

b:35.7
occ:1.00
F3 A:IFP237 0.0 35.7 1.0
CM2 A:IFP237 1.4 34.6 1.0
F1 A:IFP237 2.3 36.2 1.0
F2 A:IFP237 2.3 33.6 1.0
C2A A:IFP237 2.4 34.7 1.0
N3A A:IFP237 2.6 31.6 1.0
CE2 A:TYR29 2.8 15.8 1.0
NE2 A:GLN57 3.0 17.4 1.0
CZ A:TYR29 3.3 14.9 1.0
OH A:TYR29 3.5 17.1 1.0
CD2 A:TYR29 3.5 16.3 1.0
N1A A:IFP237 3.6 33.9 1.0
OH A:TYR147 3.6 17.3 1.0
ND1 A:HIS107 3.7 20.4 1.0
CD1 A:ILE31 3.7 23.7 1.0
CE1 A:HIS107 3.8 20.3 1.0
C4A A:IFP237 4.0 34.6 1.0
CE1 A:TYR147 4.1 18.3 1.0
OG A:SER206 4.1 28.6 1.0
CG A:HIS107 4.2 17.5 1.0
CD A:GLN57 4.2 16.2 1.0
CE1 A:TYR29 4.3 15.3 1.0
CZ A:TYR147 4.3 17.6 1.0
NE2 A:HIS107 4.4 19.0 1.0
CG A:TYR29 4.5 14.6 1.0
CG1 A:ILE31 4.5 20.1 1.0
CG1 A:VAL184 4.5 15.1 1.0
CD2 A:HIS107 4.6 21.0 1.0
N4A A:IFP237 4.7 33.8 1.0
C6A A:IFP237 4.7 36.2 1.0
CB A:SER206 4.8 20.8 1.0
CD1 A:TYR29 4.8 15.7 1.0
OE1 A:GLN57 4.8 18.2 1.0
C5A A:IFP237 4.9 33.3 1.0
CB A:HIS107 5.0 18.2 1.0

Reference:

K.M.Mcculloch, J.W.Hanes, S.Abdelwahed, N.Mahanta, A.Hazra, K.Ishida, T.P.Begley, S.E.Ealick. Crystal Structure and Kinetic Characterization of Bacillus Subtilis Thiamin Phosphate Synthase with A Carboxylated Thiazole Phosphate To Be Published.
Page generated: Sun Dec 13 11:52:03 2020

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