Fluorine in PDB 3nm1: The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Enzymatic activity of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
All present enzymatic activity of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes:
2.5.1.3;
2.7.1.50;
Protein crystallography data
The structure of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes, PDB code: 3nm1
was solved by
D.Paul,
A.Chatterjee,
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)
|
38.55 /
3.21
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
104.938,
154.212,
148.704,
90.00,
102.10,
90.00
|
R / Rfree (%)
|
20.1 /
23.2
|
Other elements in 3nm1:
The structure of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Fluorine atom in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
(pdb code 3nm1). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 18 binding sites of Fluorine where determined in the
The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes, PDB code: 3nm1:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 1 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F542
b:77.6
occ:1.00
|
F1
|
A:IFP542
|
0.0
|
77.6
|
1.0
|
CM2
|
A:IFP542
|
1.3
|
75.2
|
1.0
|
F2
|
A:IFP542
|
2.1
|
71.0
|
1.0
|
F3
|
A:IFP542
|
2.2
|
75.1
|
1.0
|
C2A
|
A:IFP542
|
2.2
|
73.3
|
1.0
|
N1A
|
A:IFP542
|
2.6
|
73.0
|
1.0
|
CE1
|
A:HIS90
|
3.1
|
75.4
|
1.0
|
CA
|
A:GLY136
|
3.2
|
73.4
|
1.0
|
N3A
|
A:IFP542
|
3.5
|
73.5
|
1.0
|
CE1
|
A:TYR134
|
3.5
|
79.3
|
1.0
|
N
|
A:GLY136
|
3.6
|
74.3
|
1.0
|
CG2
|
A:VAL177
|
3.6
|
68.0
|
1.0
|
ND1
|
A:HIS90
|
3.6
|
74.7
|
1.0
|
CE2
|
A:TYR13
|
3.8
|
68.1
|
1.0
|
NE2
|
A:HIS90
|
3.9
|
74.7
|
1.0
|
C6A
|
A:IFP542
|
4.0
|
71.2
|
1.0
|
OH
|
A:TYR134
|
4.2
|
70.7
|
1.0
|
CZ
|
A:TYR134
|
4.4
|
75.0
|
1.0
|
CD2
|
A:TYR13
|
4.4
|
72.3
|
1.0
|
CD1
|
A:TYR134
|
4.4
|
72.8
|
1.0
|
C
|
A:ILE135
|
4.5
|
74.8
|
1.0
|
C4A
|
A:IFP542
|
4.6
|
76.1
|
1.0
|
CZ
|
A:TYR13
|
4.6
|
69.3
|
1.0
|
C
|
A:GLY136
|
4.6
|
77.6
|
1.0
|
OH
|
A:TYR13
|
4.6
|
69.6
|
1.0
|
CG
|
A:HIS90
|
4.6
|
72.4
|
1.0
|
CD2
|
A:HIS90
|
4.7
|
74.0
|
1.0
|
C5A
|
A:IFP542
|
4.7
|
73.6
|
1.0
|
O
|
A:VAL177
|
4.8
|
73.8
|
1.0
|
CB
|
A:VAL177
|
4.8
|
64.8
|
1.0
|
O
|
A:ILE135
|
4.9
|
71.2
|
1.0
|
|
Fluorine binding site 2 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 2 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F542
b:71.0
occ:1.00
|
F2
|
A:IFP542
|
0.0
|
71.0
|
1.0
|
CM2
|
A:IFP542
|
1.3
|
75.2
|
1.0
|
F1
|
A:IFP542
|
2.1
|
77.6
|
1.0
|
F3
|
A:IFP542
|
2.2
|
75.1
|
1.0
|
C2A
|
A:IFP542
|
2.3
|
73.3
|
1.0
|
SG
|
A:CYS207
|
3.1
|
75.5
|
1.0
|
N1A
|
A:IFP542
|
3.1
|
73.0
|
1.0
|
N3A
|
A:IFP542
|
3.2
|
73.5
|
1.0
|
CE2
|
A:TYR13
|
3.5
|
68.1
|
1.0
|
CD2
|
A:TYR13
|
3.7
|
72.3
|
1.0
|
CB
|
A:CYS207
|
3.8
|
69.1
|
1.0
|
CD1
|
A:ILE179
|
3.8
|
65.8
|
1.0
|
CZ
|
A:TYR13
|
4.0
|
69.3
|
1.0
|
CG2
|
A:VAL15
|
4.1
|
64.1
|
1.0
|
CG2
|
A:VAL177
|
4.4
|
68.0
|
1.0
|
C6A
|
A:IFP542
|
4.4
|
71.2
|
1.0
|
C4A
|
A:IFP542
|
4.4
|
76.1
|
1.0
|
OH
|
A:TYR13
|
4.4
|
69.6
|
1.0
|
CG
|
A:TYR13
|
4.4
|
70.9
|
1.0
|
CG1
|
A:ILE179
|
4.4
|
69.8
|
1.0
|
CB
|
A:ILE179
|
4.5
|
72.3
|
1.0
|
CE1
|
A:TYR13
|
4.6
|
71.2
|
1.0
|
CE1
|
A:HIS90
|
4.7
|
75.4
|
1.0
|
CD1
|
A:TYR13
|
4.8
|
70.1
|
1.0
|
CA
|
A:GLY136
|
4.8
|
73.4
|
1.0
|
C5A
|
A:IFP542
|
4.9
|
73.6
|
1.0
|
|
Fluorine binding site 3 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 3 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F542
b:75.1
occ:1.00
|
F3
|
A:IFP542
|
0.0
|
75.1
|
1.0
|
CM2
|
A:IFP542
|
1.3
|
75.2
|
1.0
|
F1
|
A:IFP542
|
2.2
|
77.6
|
1.0
|
F2
|
A:IFP542
|
2.2
|
71.0
|
1.0
|
C2A
|
A:IFP542
|
2.3
|
73.3
|
1.0
|
N3A
|
A:IFP542
|
2.7
|
73.5
|
1.0
|
OH
|
A:TYR13
|
2.8
|
69.6
|
1.0
|
CE2
|
A:TYR13
|
3.0
|
68.1
|
1.0
|
CZ
|
A:TYR13
|
3.1
|
69.3
|
1.0
|
ND1
|
A:HIS90
|
3.1
|
74.7
|
1.0
|
OH
|
A:TYR134
|
3.3
|
70.7
|
1.0
|
CE1
|
A:HIS90
|
3.3
|
75.4
|
1.0
|
OE1
|
A:GLN43
|
3.4
|
78.8
|
1.0
|
N1A
|
A:IFP542
|
3.5
|
73.0
|
1.0
|
CG
|
A:HIS90
|
3.7
|
72.4
|
1.0
|
NE2
|
A:HIS90
|
3.9
|
74.7
|
1.0
|
CE1
|
A:TYR134
|
4.0
|
79.3
|
1.0
|
CD2
|
A:TYR13
|
4.0
|
72.3
|
1.0
|
C4A
|
A:IFP542
|
4.0
|
76.1
|
1.0
|
CD
|
A:GLN43
|
4.1
|
77.3
|
1.0
|
CZ
|
A:TYR134
|
4.1
|
75.0
|
1.0
|
CE1
|
A:TYR13
|
4.1
|
71.2
|
1.0
|
CD2
|
A:HIS90
|
4.1
|
74.0
|
1.0
|
NE2
|
A:GLN43
|
4.3
|
74.6
|
1.0
|
CG2
|
A:VAL15
|
4.3
|
64.1
|
1.0
|
CB
|
A:HIS90
|
4.4
|
66.4
|
1.0
|
C6A
|
A:IFP542
|
4.6
|
71.2
|
1.0
|
C5A
|
A:IFP542
|
4.8
|
73.6
|
1.0
|
CG
|
A:TYR13
|
4.9
|
70.9
|
1.0
|
N4A
|
A:IFP542
|
4.9
|
77.4
|
1.0
|
CD1
|
A:TYR13
|
4.9
|
70.1
|
1.0
|
|
Fluorine binding site 4 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 4 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F542
b:72.9
occ:1.00
|
F1
|
F:IFP542
|
0.0
|
72.9
|
1.0
|
CM2
|
F:IFP542
|
1.3
|
76.7
|
1.0
|
F2
|
F:IFP542
|
2.2
|
75.2
|
1.0
|
F3
|
F:IFP542
|
2.2
|
78.5
|
1.0
|
C2A
|
F:IFP542
|
2.3
|
72.8
|
1.0
|
N1A
|
F:IFP542
|
2.7
|
71.4
|
1.0
|
CE1
|
F:HIS90
|
3.2
|
74.6
|
1.0
|
CE1
|
F:TYR134
|
3.3
|
70.2
|
1.0
|
CA
|
F:GLY136
|
3.3
|
63.7
|
1.0
|
N3A
|
F:IFP542
|
3.5
|
70.8
|
1.0
|
CG2
|
F:VAL177
|
3.5
|
64.4
|
1.0
|
ND1
|
F:HIS90
|
3.7
|
72.8
|
1.0
|
N
|
F:GLY136
|
3.8
|
63.8
|
1.0
|
OH
|
F:TYR134
|
3.8
|
63.7
|
1.0
|
CE2
|
F:TYR13
|
3.9
|
63.5
|
1.0
|
NE2
|
F:HIS90
|
3.9
|
76.7
|
1.0
|
CZ
|
F:TYR134
|
4.0
|
64.7
|
1.0
|
C6A
|
F:IFP542
|
4.1
|
72.7
|
1.0
|
CD1
|
F:TYR134
|
4.2
|
67.9
|
1.0
|
C
|
F:ILE135
|
4.4
|
62.0
|
1.0
|
CD2
|
F:TYR13
|
4.5
|
59.7
|
1.0
|
C4A
|
F:IFP542
|
4.6
|
74.9
|
1.0
|
CG
|
F:HIS90
|
4.6
|
71.0
|
1.0
|
CZ
|
F:TYR13
|
4.6
|
65.9
|
1.0
|
O
|
F:ILE135
|
4.6
|
62.8
|
1.0
|
OH
|
F:TYR13
|
4.7
|
64.4
|
1.0
|
C
|
F:GLY136
|
4.7
|
64.2
|
1.0
|
CD2
|
F:HIS90
|
4.7
|
74.5
|
1.0
|
C5A
|
F:IFP542
|
4.8
|
74.6
|
1.0
|
CB
|
F:VAL177
|
5.0
|
62.8
|
1.0
|
|
Fluorine binding site 5 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 5 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F542
b:75.2
occ:1.00
|
F2
|
F:IFP542
|
0.0
|
75.2
|
1.0
|
CM2
|
F:IFP542
|
1.3
|
76.7
|
1.0
|
F1
|
F:IFP542
|
2.2
|
72.9
|
1.0
|
F3
|
F:IFP542
|
2.2
|
78.5
|
1.0
|
C2A
|
F:IFP542
|
2.3
|
72.8
|
1.0
|
N3A
|
F:IFP542
|
2.6
|
70.8
|
1.0
|
OH
|
F:TYR13
|
3.0
|
64.4
|
1.0
|
CE2
|
F:TYR13
|
3.1
|
63.5
|
1.0
|
NE2
|
F:GLN43
|
3.1
|
74.0
|
1.0
|
OH
|
F:TYR134
|
3.1
|
63.7
|
1.0
|
CZ
|
F:TYR13
|
3.2
|
65.9
|
1.0
|
ND1
|
F:HIS90
|
3.5
|
72.8
|
1.0
|
N1A
|
F:IFP542
|
3.5
|
71.4
|
1.0
|
CE1
|
F:HIS90
|
3.6
|
74.6
|
1.0
|
CG
|
F:HIS90
|
3.8
|
71.0
|
1.0
|
C4A
|
F:IFP542
|
3.9
|
74.9
|
1.0
|
NE2
|
F:HIS90
|
3.9
|
76.7
|
1.0
|
CE1
|
F:TYR134
|
4.0
|
70.2
|
1.0
|
CD2
|
F:TYR13
|
4.0
|
59.7
|
1.0
|
CZ
|
F:TYR134
|
4.0
|
64.7
|
1.0
|
CD
|
F:GLN43
|
4.1
|
72.8
|
1.0
|
CD2
|
F:HIS90
|
4.1
|
74.5
|
1.0
|
CE1
|
F:TYR13
|
4.2
|
64.2
|
1.0
|
CB
|
F:HIS90
|
4.5
|
68.1
|
1.0
|
CG2
|
F:VAL15
|
4.5
|
63.2
|
1.0
|
OE1
|
F:GLN43
|
4.6
|
74.0
|
1.0
|
C6A
|
F:IFP542
|
4.6
|
72.7
|
1.0
|
C5A
|
F:IFP542
|
4.7
|
74.6
|
1.0
|
N4A
|
F:IFP542
|
4.7
|
74.1
|
1.0
|
SG
|
F:CYS207
|
4.8
|
80.1
|
1.0
|
CG
|
F:TYR13
|
4.9
|
59.8
|
1.0
|
CD1
|
F:TYR13
|
4.9
|
63.7
|
1.0
|
CG2
|
F:VAL177
|
4.9
|
64.4
|
1.0
|
|
Fluorine binding site 6 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 6 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F542
b:78.5
occ:1.00
|
F3
|
F:IFP542
|
0.0
|
78.5
|
1.0
|
CM2
|
F:IFP542
|
1.3
|
76.7
|
1.0
|
F2
|
F:IFP542
|
2.2
|
75.2
|
1.0
|
F1
|
F:IFP542
|
2.2
|
72.9
|
1.0
|
C2A
|
F:IFP542
|
2.3
|
72.8
|
1.0
|
SG
|
F:CYS207
|
3.1
|
80.1
|
1.0
|
N1A
|
F:IFP542
|
3.1
|
71.4
|
1.0
|
N3A
|
F:IFP542
|
3.2
|
70.8
|
1.0
|
CE2
|
F:TYR13
|
3.5
|
63.5
|
1.0
|
CG2
|
F:VAL177
|
3.6
|
64.4
|
1.0
|
CD2
|
F:TYR13
|
3.6
|
59.7
|
1.0
|
CB
|
F:CYS207
|
3.7
|
69.3
|
1.0
|
CD1
|
F:ILE179
|
3.8
|
75.1
|
1.0
|
CZ
|
F:TYR13
|
4.1
|
65.9
|
1.0
|
CG2
|
F:VAL15
|
4.2
|
63.2
|
1.0
|
C6A
|
F:IFP542
|
4.4
|
72.7
|
1.0
|
NE2
|
F:GLN43
|
4.4
|
74.0
|
1.0
|
CG
|
F:TYR13
|
4.4
|
59.8
|
1.0
|
CG1
|
F:ILE179
|
4.4
|
74.2
|
1.0
|
CB
|
F:ILE179
|
4.4
|
72.8
|
1.0
|
C4A
|
F:IFP542
|
4.4
|
74.9
|
1.0
|
OH
|
F:TYR13
|
4.6
|
64.4
|
1.0
|
CE1
|
F:TYR13
|
4.7
|
64.2
|
1.0
|
CA
|
F:GLY136
|
4.8
|
63.7
|
1.0
|
CD1
|
F:TYR13
|
4.9
|
63.7
|
1.0
|
C5A
|
F:IFP542
|
4.9
|
74.6
|
1.0
|
CE1
|
F:HIS90
|
4.9
|
74.6
|
1.0
|
CG2
|
F:ILE179
|
4.9
|
73.1
|
1.0
|
CE1
|
F:TYR134
|
4.9
|
70.2
|
1.0
|
CB
|
F:VAL177
|
4.9
|
62.8
|
1.0
|
OH
|
F:TYR134
|
5.0
|
63.7
|
1.0
|
|
Fluorine binding site 7 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 7 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F542
b:80.1
occ:1.00
|
F1
|
E:IFP542
|
0.0
|
80.1
|
1.0
|
CM2
|
E:IFP542
|
1.3
|
76.5
|
1.0
|
F3
|
E:IFP542
|
2.1
|
80.7
|
1.0
|
F2
|
E:IFP542
|
2.2
|
71.2
|
1.0
|
C2A
|
E:IFP542
|
2.3
|
75.9
|
1.0
|
N3A
|
E:IFP542
|
2.9
|
80.7
|
1.0
|
SG
|
E:CYS207
|
3.1
|
83.3
|
1.0
|
CE2
|
E:TYR13
|
3.1
|
73.9
|
1.0
|
CG2
|
E:VAL15
|
3.3
|
66.4
|
1.0
|
CZ
|
E:TYR13
|
3.4
|
70.0
|
1.0
|
N1A
|
E:IFP542
|
3.5
|
68.6
|
1.0
|
CD2
|
E:TYR13
|
3.6
|
75.9
|
1.0
|
NE2
|
E:GLN43
|
3.7
|
78.3
|
1.0
|
OH
|
E:TYR13
|
3.8
|
74.8
|
1.0
|
CD1
|
E:ILE179
|
3.8
|
70.2
|
1.0
|
CE1
|
E:TYR13
|
4.0
|
70.5
|
1.0
|
CB
|
E:CYS207
|
4.1
|
73.0
|
1.0
|
CG
|
E:TYR13
|
4.2
|
72.4
|
1.0
|
C4A
|
E:IFP542
|
4.2
|
77.0
|
1.0
|
CD1
|
E:TYR13
|
4.4
|
71.9
|
1.0
|
CD
|
E:GLN43
|
4.6
|
78.2
|
1.0
|
C6A
|
E:IFP542
|
4.6
|
71.0
|
1.0
|
CG1
|
E:ILE179
|
4.6
|
70.6
|
1.0
|
CB
|
E:VAL15
|
4.7
|
65.9
|
1.0
|
CG2
|
E:VAL177
|
4.8
|
66.6
|
1.0
|
OH
|
E:TYR134
|
4.9
|
72.1
|
1.0
|
C5A
|
E:IFP542
|
4.9
|
73.9
|
1.0
|
|
Fluorine binding site 8 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 8 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F542
b:71.2
occ:1.00
|
F2
|
E:IFP542
|
0.0
|
71.2
|
1.0
|
CM2
|
E:IFP542
|
1.3
|
76.5
|
1.0
|
F3
|
E:IFP542
|
2.1
|
80.7
|
1.0
|
F1
|
E:IFP542
|
2.2
|
80.1
|
1.0
|
C2A
|
E:IFP542
|
2.3
|
75.9
|
1.0
|
N1A
|
E:IFP542
|
2.6
|
68.6
|
1.0
|
CG2
|
E:VAL177
|
3.3
|
66.6
|
1.0
|
CA
|
E:GLY136
|
3.5
|
66.0
|
1.0
|
N3A
|
E:IFP542
|
3.6
|
80.7
|
1.0
|
CE2
|
E:TYR13
|
3.8
|
73.9
|
1.0
|
CD1
|
E:ILE179
|
4.0
|
70.2
|
1.0
|
C6A
|
E:IFP542
|
4.1
|
71.0
|
1.0
|
CE1
|
E:HIS90
|
4.1
|
74.8
|
1.0
|
CD2
|
E:TYR13
|
4.1
|
75.9
|
1.0
|
SG
|
E:CYS207
|
4.2
|
83.3
|
1.0
|
CB
|
E:VAL177
|
4.2
|
62.7
|
1.0
|
N
|
E:GLY136
|
4.3
|
68.4
|
1.0
|
CE1
|
E:TYR134
|
4.3
|
74.6
|
1.0
|
CB
|
E:CYS207
|
4.4
|
73.0
|
1.0
|
CB
|
E:ILE179
|
4.5
|
69.4
|
1.0
|
ND1
|
E:HIS90
|
4.5
|
77.6
|
1.0
|
CZ
|
E:TYR13
|
4.6
|
70.0
|
1.0
|
NE2
|
E:HIS90
|
4.6
|
70.9
|
1.0
|
CG1
|
E:ILE179
|
4.7
|
70.6
|
1.0
|
C
|
E:GLY136
|
4.7
|
70.9
|
1.0
|
C4A
|
E:IFP542
|
4.7
|
77.0
|
1.0
|
OH
|
E:TYR13
|
4.9
|
74.8
|
1.0
|
O
|
E:VAL177
|
4.9
|
59.9
|
1.0
|
C5A
|
E:IFP542
|
4.9
|
73.9
|
1.0
|
OH
|
E:TYR134
|
4.9
|
72.1
|
1.0
|
CG2
|
E:ILE179
|
5.0
|
71.8
|
1.0
|
|
Fluorine binding site 9 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 9 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F542
b:80.7
occ:1.00
|
F3
|
E:IFP542
|
0.0
|
80.7
|
1.0
|
CM2
|
E:IFP542
|
1.3
|
76.5
|
1.0
|
F1
|
E:IFP542
|
2.1
|
80.1
|
1.0
|
F2
|
E:IFP542
|
2.1
|
71.2
|
1.0
|
C2A
|
E:IFP542
|
2.3
|
75.9
|
1.0
|
N3A
|
E:IFP542
|
2.9
|
80.7
|
1.0
|
ND1
|
E:HIS90
|
3.0
|
77.6
|
1.0
|
CE2
|
E:TYR13
|
3.1
|
73.9
|
1.0
|
OH
|
E:TYR13
|
3.1
|
74.8
|
1.0
|
OH
|
E:TYR134
|
3.1
|
72.1
|
1.0
|
CE1
|
E:HIS90
|
3.2
|
74.8
|
1.0
|
N1A
|
E:IFP542
|
3.3
|
68.6
|
1.0
|
NE2
|
E:GLN43
|
3.4
|
78.3
|
1.0
|
CZ
|
E:TYR13
|
3.4
|
70.0
|
1.0
|
CE1
|
E:TYR134
|
3.5
|
74.6
|
1.0
|
CG
|
E:HIS90
|
3.5
|
75.5
|
1.0
|
NE2
|
E:HIS90
|
3.7
|
70.9
|
1.0
|
CZ
|
E:TYR134
|
3.8
|
73.7
|
1.0
|
CD2
|
E:HIS90
|
3.9
|
75.3
|
1.0
|
CD2
|
E:TYR13
|
4.1
|
75.9
|
1.0
|
C4A
|
E:IFP542
|
4.2
|
77.0
|
1.0
|
CB
|
E:HIS90
|
4.3
|
74.1
|
1.0
|
C6A
|
E:IFP542
|
4.4
|
71.0
|
1.0
|
CE1
|
E:TYR13
|
4.6
|
70.5
|
1.0
|
CD
|
E:GLN43
|
4.6
|
78.2
|
1.0
|
CG2
|
E:VAL177
|
4.6
|
66.6
|
1.0
|
CD1
|
E:TYR134
|
4.7
|
73.2
|
1.0
|
C5A
|
E:IFP542
|
4.8
|
73.9
|
1.0
|
CA
|
E:GLY136
|
4.9
|
66.0
|
1.0
|
CG2
|
E:VAL15
|
5.0
|
66.4
|
1.0
|
|
Fluorine binding site 10 out
of 18 in 3nm1
Go back to
Fluorine Binding Sites List in 3nm1
Fluorine binding site 10 out
of 18 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F542
b:74.6
occ:1.00
|
F1
|
D:IFP542
|
0.0
|
74.6
|
1.0
|
CM2
|
D:IFP542
|
1.3
|
72.4
|
1.0
|
F3
|
D:IFP542
|
2.2
|
72.6
|
1.0
|
F2
|
D:IFP542
|
2.2
|
66.4
|
1.0
|
C2A
|
D:IFP542
|
2.4
|
71.1
|
1.0
|
N3A
|
D:IFP542
|
2.9
|
70.3
|
1.0
|
NE2
|
D:GLN43
|
3.2
|
70.0
|
1.0
|
SG
|
D:CYS207
|
3.2
|
83.5
|
1.0
|
CE2
|
D:TYR13
|
3.4
|
62.5
|
1.0
|
CG2
|
D:VAL15
|
3.4
|
60.4
|
1.0
|
N1A
|
D:IFP542
|
3.5
|
65.7
|
1.0
|
CZ
|
D:TYR13
|
3.5
|
61.1
|
1.0
|
CD2
|
D:TYR13
|
3.7
|
62.0
|
1.0
|
OH
|
D:TYR13
|
4.0
|
62.0
|
1.0
|
CE1
|
D:TYR13
|
4.0
|
61.7
|
1.0
|
CG
|
D:TYR13
|
4.1
|
60.2
|
1.0
|
C4A
|
D:IFP542
|
4.2
|
69.2
|
1.0
|
CD1
|
D:ILE179
|
4.2
|
66.7
|
1.0
|
CD1
|
D:TYR13
|
4.3
|
63.1
|
1.0
|
CB
|
D:CYS207
|
4.3
|
67.7
|
1.0
|
CD
|
D:GLN43
|
4.4
|
68.1
|
1.0
|
OH
|
D:TYR134
|
4.7
|
58.9
|
1.0
|
C6A
|
D:IFP542
|
4.7
|
65.2
|
1.0
|
CB
|
D:VAL15
|
4.8
|
60.3
|
1.0
|
NE2
|
D:HIS90
|
4.9
|
72.1
|
1.0
|
CG1
|
D:ILE179
|
4.9
|
63.1
|
1.0
|
CG2
|
D:VAL177
|
4.9
|
65.7
|
1.0
|
CE1
|
D:HIS90
|
4.9
|
70.7
|
1.0
|
C5A
|
D:IFP542
|
4.9
|
66.4
|
1.0
|
CE1
|
D:TYR134
|
5.0
|
63.2
|
1.0
|
|
Reference:
D.Paul,
A.Chatterjee,
T.P.Begley,
S.E.Ealick.
Domain Organization in Candida Glabrata THI6, A Bifunctional Enzyme Required For Thiamin Biosynthesis in Eukaryotes . Biochemistry V. 49 9922 2010.
ISSN: ISSN 0006-2960
PubMed: 20968298
DOI: 10.1021/BI101008U
Page generated: Wed Jul 31 21:01:49 2024
|