Fluorine in PDB 7mii: Human CTPS2 Bound to Inhibitor T35
Enzymatic activity of Human CTPS2 Bound to Inhibitor T35
All present enzymatic activity of Human CTPS2 Bound to Inhibitor T35:
6.3.4.2;
Other elements in 7mii:
The structure of Human CTPS2 Bound to Inhibitor T35 also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the Human CTPS2 Bound to Inhibitor T35
(pdb code 7mii). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Human CTPS2 Bound to Inhibitor T35, PDB code: 7mii:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 1 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:29.3
occ:1.00
|
F1
|
A:ZFY601
|
0.0
|
29.3
|
1.0
|
C5
|
A:ZFY601
|
1.3
|
29.3
|
1.0
|
F2
|
A:ZFY601
|
2.2
|
29.3
|
1.0
|
F3
|
A:ZFY601
|
2.2
|
29.3
|
1.0
|
C1
|
A:ZFY601
|
2.4
|
29.3
|
1.0
|
H2
|
A:ZFY601
|
2.4
|
0.0
|
1.0
|
HD12
|
A:ILE19
|
2.5
|
0.0
|
1.0
|
HD3
|
A:ARG217
|
2.7
|
0.0
|
1.0
|
HG22
|
A:ILE244
|
2.7
|
0.0
|
1.0
|
C2
|
A:ZFY601
|
2.8
|
29.3
|
1.0
|
HG21
|
A:ILE244
|
2.9
|
0.0
|
1.0
|
HD2
|
A:ARG217
|
3.0
|
0.0
|
1.0
|
HD11
|
A:ILE19
|
3.1
|
0.0
|
1.0
|
CD1
|
A:ILE19
|
3.3
|
26.3
|
1.0
|
CD
|
A:ARG217
|
3.3
|
29.9
|
1.0
|
CG2
|
A:ILE244
|
3.3
|
29.1
|
1.0
|
N2
|
A:ZFY601
|
3.6
|
29.3
|
1.0
|
HA3
|
A:GLY15
|
3.7
|
0.0
|
1.0
|
HH11
|
A:ARG217
|
3.8
|
0.0
|
1.0
|
O
|
A:ILE14
|
3.8
|
27.5
|
1.0
|
NE
|
A:ARG217
|
3.9
|
29.9
|
1.0
|
HD13
|
A:ILE19
|
3.9
|
0.0
|
1.0
|
HG23
|
A:ILE244
|
4.0
|
0.0
|
1.0
|
HG12
|
A:VAL253
|
4.1
|
0.0
|
1.0
|
N1
|
A:ZFY601
|
4.1
|
29.3
|
1.0
|
HG23
|
A:VAL253
|
4.1
|
0.0
|
1.0
|
HB
|
A:ILE244
|
4.3
|
0.0
|
1.0
|
HG12
|
A:ILE19
|
4.3
|
0.0
|
1.0
|
HB2
|
A:ARG217
|
4.3
|
0.0
|
1.0
|
NH1
|
A:ARG217
|
4.3
|
29.9
|
1.0
|
HB
|
A:ILE18
|
4.3
|
0.0
|
1.0
|
CZ
|
A:ARG217
|
4.4
|
29.9
|
1.0
|
CG1
|
A:ILE19
|
4.4
|
26.3
|
1.0
|
HE
|
A:ARG217
|
4.4
|
0.0
|
1.0
|
CB
|
A:ILE244
|
4.4
|
29.1
|
1.0
|
HG22
|
A:VAL253
|
4.5
|
0.0
|
1.0
|
HG13
|
A:VAL253
|
4.5
|
0.0
|
1.0
|
HD12
|
A:ILE244
|
4.6
|
0.0
|
1.0
|
HG23
|
A:ILE18
|
4.6
|
0.0
|
1.0
|
HG21
|
A:ILE18
|
4.6
|
0.0
|
1.0
|
CG
|
A:ARG217
|
4.6
|
29.9
|
1.0
|
HG13
|
A:ILE19
|
4.7
|
0.0
|
1.0
|
O
|
A:GLY15
|
4.7
|
25.3
|
1.0
|
C4
|
A:ZFY601
|
4.7
|
29.3
|
1.0
|
CA
|
A:GLY15
|
4.7
|
25.3
|
1.0
|
CG1
|
A:VAL253
|
4.8
|
29.4
|
1.0
|
CG2
|
A:VAL253
|
4.8
|
29.4
|
1.0
|
C3
|
A:ZFY601
|
4.9
|
29.3
|
1.0
|
C
|
A:ILE14
|
4.9
|
27.5
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 2 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:29.3
occ:1.00
|
F2
|
A:ZFY601
|
0.0
|
29.3
|
1.0
|
C5
|
A:ZFY601
|
1.3
|
29.3
|
1.0
|
F1
|
A:ZFY601
|
2.2
|
29.3
|
1.0
|
F3
|
A:ZFY601
|
2.2
|
29.3
|
1.0
|
HA3
|
A:GLY15
|
2.3
|
0.0
|
1.0
|
C1
|
A:ZFY601
|
2.3
|
29.3
|
1.0
|
N2
|
A:ZFY601
|
2.8
|
29.3
|
1.0
|
HB
|
A:ILE18
|
3.0
|
0.0
|
1.0
|
HD12
|
A:ILE18
|
3.0
|
0.0
|
1.0
|
CA
|
A:GLY15
|
3.4
|
25.3
|
1.0
|
C2
|
A:ZFY601
|
3.5
|
29.3
|
1.0
|
HG23
|
A:ILE18
|
3.6
|
0.0
|
1.0
|
HD13
|
A:ILE18
|
3.6
|
0.0
|
1.0
|
HD11
|
A:ILE19
|
3.6
|
0.0
|
1.0
|
HH11
|
A:ARG217
|
3.6
|
0.0
|
1.0
|
HD3
|
A:ARG217
|
3.7
|
0.0
|
1.0
|
O
|
A:ILE14
|
3.7
|
27.5
|
1.0
|
HA2
|
A:GLY15
|
3.7
|
0.0
|
1.0
|
H2
|
A:ZFY601
|
3.8
|
0.0
|
1.0
|
O
|
A:GLY15
|
3.8
|
25.3
|
1.0
|
CD1
|
A:ILE18
|
3.8
|
26.3
|
1.0
|
HD12
|
A:ILE19
|
3.9
|
0.0
|
1.0
|
CB
|
A:ILE18
|
3.9
|
26.3
|
1.0
|
NH1
|
A:ARG217
|
4.0
|
29.9
|
1.0
|
C
|
A:GLY15
|
4.0
|
25.3
|
1.0
|
C4
|
A:ZFY601
|
4.1
|
29.3
|
1.0
|
CG2
|
A:ILE18
|
4.1
|
26.3
|
1.0
|
H10
|
A:ZFY601
|
4.1
|
0.0
|
1.0
|
HG21
|
A:ILE18
|
4.2
|
0.0
|
1.0
|
CD1
|
A:ILE19
|
4.3
|
26.3
|
1.0
|
N
|
A:GLY15
|
4.3
|
25.3
|
1.0
|
HH12
|
A:ARG217
|
4.3
|
0.0
|
1.0
|
HG23
|
A:VAL253
|
4.4
|
0.0
|
1.0
|
C
|
A:ILE14
|
4.4
|
27.5
|
1.0
|
CZ
|
A:ARG217
|
4.4
|
29.9
|
1.0
|
CG1
|
A:ILE18
|
4.4
|
26.3
|
1.0
|
CD
|
A:ARG217
|
4.5
|
29.9
|
1.0
|
NE
|
A:ARG217
|
4.5
|
29.9
|
1.0
|
N1
|
A:ZFY601
|
4.6
|
29.3
|
1.0
|
HG12
|
A:ILE19
|
4.6
|
0.0
|
1.0
|
HD2
|
A:ARG217
|
4.6
|
0.0
|
1.0
|
HD11
|
A:ILE18
|
4.7
|
0.0
|
1.0
|
HG22
|
A:ILE244
|
4.7
|
0.0
|
1.0
|
HG12
|
A:VAL253
|
4.8
|
0.0
|
1.0
|
C3
|
A:ZFY601
|
4.8
|
29.3
|
1.0
|
H
|
A:ILE18
|
4.8
|
0.0
|
1.0
|
H
|
A:ILE19
|
4.9
|
0.0
|
1.0
|
HG13
|
A:ILE18
|
4.9
|
0.0
|
1.0
|
HG21
|
A:ILE244
|
5.0
|
0.0
|
1.0
|
C10
|
A:ZFY601
|
5.0
|
29.3
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 3 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:29.3
occ:1.00
|
F3
|
A:ZFY601
|
0.0
|
29.3
|
1.0
|
C5
|
A:ZFY601
|
1.3
|
29.3
|
1.0
|
F1
|
A:ZFY601
|
2.2
|
29.3
|
1.0
|
F2
|
A:ZFY601
|
2.2
|
29.3
|
1.0
|
C1
|
A:ZFY601
|
2.3
|
29.3
|
1.0
|
HG23
|
A:VAL253
|
2.4
|
0.0
|
1.0
|
HG23
|
A:ILE18
|
2.5
|
0.0
|
1.0
|
HD11
|
A:ILE19
|
2.6
|
0.0
|
1.0
|
HG21
|
A:ILE18
|
2.6
|
0.0
|
1.0
|
HG12
|
A:VAL253
|
2.7
|
0.0
|
1.0
|
N2
|
A:ZFY601
|
2.9
|
29.3
|
1.0
|
HB
|
A:ILE18
|
3.0
|
0.0
|
1.0
|
CG2
|
A:ILE18
|
3.0
|
26.3
|
1.0
|
HD12
|
A:ILE19
|
3.2
|
0.0
|
1.0
|
CG2
|
A:VAL253
|
3.3
|
29.4
|
1.0
|
CD1
|
A:ILE19
|
3.4
|
26.3
|
1.0
|
C2
|
A:ZFY601
|
3.4
|
29.3
|
1.0
|
HG22
|
A:ILE244
|
3.5
|
0.0
|
1.0
|
HG22
|
A:VAL253
|
3.5
|
0.0
|
1.0
|
CB
|
A:ILE18
|
3.5
|
26.3
|
1.0
|
CG1
|
A:VAL253
|
3.6
|
29.4
|
1.0
|
H2
|
A:ZFY601
|
3.6
|
0.0
|
1.0
|
HG13
|
A:VAL253
|
3.8
|
0.0
|
1.0
|
HD13
|
A:ILE18
|
3.8
|
0.0
|
1.0
|
HD13
|
A:ILE19
|
3.8
|
0.0
|
1.0
|
HG22
|
A:ILE18
|
4.0
|
0.0
|
1.0
|
CB
|
A:VAL253
|
4.0
|
29.4
|
1.0
|
HD12
|
A:ILE18
|
4.1
|
0.0
|
1.0
|
HA3
|
A:GLY15
|
4.1
|
0.0
|
1.0
|
HG21
|
A:VAL253
|
4.1
|
0.0
|
1.0
|
C4
|
A:ZFY601
|
4.2
|
29.3
|
1.0
|
CD1
|
A:ILE18
|
4.3
|
26.3
|
1.0
|
HB
|
A:VAL253
|
4.3
|
0.0
|
1.0
|
HG21
|
A:ILE244
|
4.3
|
0.0
|
1.0
|
CG2
|
A:ILE244
|
4.4
|
29.1
|
1.0
|
HG11
|
A:VAL253
|
4.4
|
0.0
|
1.0
|
O
|
A:GLY15
|
4.4
|
25.3
|
1.0
|
H
|
A:ILE19
|
4.5
|
0.0
|
1.0
|
CG1
|
A:ILE18
|
4.5
|
26.3
|
1.0
|
HG12
|
A:ILE19
|
4.6
|
0.0
|
1.0
|
N1
|
A:ZFY601
|
4.6
|
29.3
|
1.0
|
N
|
A:ILE19
|
4.6
|
26.3
|
1.0
|
C
|
A:ILE18
|
4.6
|
26.3
|
1.0
|
CG1
|
A:ILE19
|
4.6
|
26.3
|
1.0
|
HG23
|
A:ILE244
|
4.6
|
0.0
|
1.0
|
CA
|
A:ILE18
|
4.7
|
26.3
|
1.0
|
HG22
|
A:THR250
|
4.7
|
0.0
|
1.0
|
H10
|
A:ZFY601
|
4.7
|
0.0
|
1.0
|
HD3
|
A:ARG217
|
4.8
|
0.0
|
1.0
|
HA
|
A:THR250
|
4.8
|
0.0
|
1.0
|
C3
|
A:ZFY601
|
4.9
|
29.3
|
1.0
|
HG22
|
A:VAL247
|
4.9
|
0.0
|
1.0
|
HA
|
A:ILE19
|
4.9
|
0.0
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 4 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F602
b:29.3
occ:1.00
|
F1
|
B:ZFY602
|
0.0
|
29.3
|
1.0
|
C5
|
B:ZFY602
|
1.3
|
29.3
|
1.0
|
F2
|
B:ZFY602
|
2.2
|
29.3
|
1.0
|
F3
|
B:ZFY602
|
2.2
|
29.3
|
1.0
|
C1
|
B:ZFY602
|
2.4
|
29.3
|
1.0
|
H2
|
B:ZFY602
|
2.4
|
0.0
|
1.0
|
HD12
|
B:ILE19
|
2.5
|
0.0
|
1.0
|
HD3
|
B:ARG217
|
2.7
|
0.0
|
1.0
|
HG22
|
B:ILE244
|
2.7
|
0.0
|
1.0
|
C2
|
B:ZFY602
|
2.8
|
29.3
|
1.0
|
HG21
|
B:ILE244
|
2.9
|
0.0
|
1.0
|
HD2
|
B:ARG217
|
3.0
|
0.0
|
1.0
|
HD11
|
B:ILE19
|
3.1
|
0.0
|
1.0
|
CD1
|
B:ILE19
|
3.3
|
26.3
|
1.0
|
CD
|
B:ARG217
|
3.3
|
29.9
|
1.0
|
CG2
|
B:ILE244
|
3.3
|
29.1
|
1.0
|
N2
|
B:ZFY602
|
3.6
|
29.3
|
1.0
|
HA3
|
B:GLY15
|
3.7
|
0.0
|
1.0
|
HH11
|
B:ARG217
|
3.8
|
0.0
|
1.0
|
O
|
B:ILE14
|
3.8
|
27.5
|
1.0
|
NE
|
B:ARG217
|
3.9
|
29.9
|
1.0
|
HD13
|
B:ILE19
|
3.9
|
0.0
|
1.0
|
HG23
|
B:ILE244
|
4.0
|
0.0
|
1.0
|
HG12
|
B:VAL253
|
4.1
|
0.0
|
1.0
|
N1
|
B:ZFY602
|
4.1
|
29.3
|
1.0
|
HG23
|
B:VAL253
|
4.1
|
0.0
|
1.0
|
HB
|
B:ILE244
|
4.3
|
0.0
|
1.0
|
HG12
|
B:ILE19
|
4.3
|
0.0
|
1.0
|
HB2
|
B:ARG217
|
4.3
|
0.0
|
1.0
|
NH1
|
B:ARG217
|
4.3
|
29.9
|
1.0
|
HB
|
B:ILE18
|
4.3
|
0.0
|
1.0
|
CZ
|
B:ARG217
|
4.4
|
29.9
|
1.0
|
CG1
|
B:ILE19
|
4.4
|
26.3
|
1.0
|
HE
|
B:ARG217
|
4.4
|
0.0
|
1.0
|
CB
|
B:ILE244
|
4.4
|
29.1
|
1.0
|
HG22
|
B:VAL253
|
4.5
|
0.0
|
1.0
|
HG13
|
B:VAL253
|
4.5
|
0.0
|
1.0
|
HD12
|
B:ILE244
|
4.6
|
0.0
|
1.0
|
HG23
|
B:ILE18
|
4.6
|
0.0
|
1.0
|
HG21
|
B:ILE18
|
4.6
|
0.0
|
1.0
|
CG
|
B:ARG217
|
4.6
|
29.9
|
1.0
|
HG13
|
B:ILE19
|
4.7
|
0.0
|
1.0
|
O
|
B:GLY15
|
4.7
|
25.3
|
1.0
|
C4
|
B:ZFY602
|
4.7
|
29.3
|
1.0
|
CA
|
B:GLY15
|
4.7
|
25.3
|
1.0
|
CG1
|
B:VAL253
|
4.8
|
29.4
|
1.0
|
CG2
|
B:VAL253
|
4.8
|
29.4
|
1.0
|
C3
|
B:ZFY602
|
4.9
|
29.3
|
1.0
|
C
|
B:ILE14
|
4.9
|
27.5
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 5 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F602
b:29.3
occ:1.00
|
F2
|
B:ZFY602
|
0.0
|
29.3
|
1.0
|
C5
|
B:ZFY602
|
1.3
|
29.3
|
1.0
|
F1
|
B:ZFY602
|
2.2
|
29.3
|
1.0
|
F3
|
B:ZFY602
|
2.2
|
29.3
|
1.0
|
HA3
|
B:GLY15
|
2.3
|
0.0
|
1.0
|
C1
|
B:ZFY602
|
2.3
|
29.3
|
1.0
|
N2
|
B:ZFY602
|
2.8
|
29.3
|
1.0
|
HB
|
B:ILE18
|
3.0
|
0.0
|
1.0
|
HD12
|
B:ILE18
|
3.0
|
0.0
|
1.0
|
CA
|
B:GLY15
|
3.4
|
25.3
|
1.0
|
C2
|
B:ZFY602
|
3.5
|
29.3
|
1.0
|
HG23
|
B:ILE18
|
3.6
|
0.0
|
1.0
|
HD13
|
B:ILE18
|
3.6
|
0.0
|
1.0
|
HD11
|
B:ILE19
|
3.6
|
0.0
|
1.0
|
HH11
|
B:ARG217
|
3.6
|
0.0
|
1.0
|
HD3
|
B:ARG217
|
3.7
|
0.0
|
1.0
|
O
|
B:ILE14
|
3.7
|
27.5
|
1.0
|
HA2
|
B:GLY15
|
3.7
|
0.0
|
1.0
|
H2
|
B:ZFY602
|
3.8
|
0.0
|
1.0
|
O
|
B:GLY15
|
3.8
|
25.3
|
1.0
|
CD1
|
B:ILE18
|
3.8
|
26.3
|
1.0
|
HD12
|
B:ILE19
|
3.9
|
0.0
|
1.0
|
CB
|
B:ILE18
|
3.9
|
26.3
|
1.0
|
NH1
|
B:ARG217
|
4.0
|
29.9
|
1.0
|
C
|
B:GLY15
|
4.0
|
25.3
|
1.0
|
C4
|
B:ZFY602
|
4.1
|
29.3
|
1.0
|
CG2
|
B:ILE18
|
4.1
|
26.3
|
1.0
|
H10
|
B:ZFY602
|
4.1
|
0.0
|
1.0
|
HG21
|
B:ILE18
|
4.2
|
0.0
|
1.0
|
CD1
|
B:ILE19
|
4.3
|
26.3
|
1.0
|
N
|
B:GLY15
|
4.3
|
25.3
|
1.0
|
HH12
|
B:ARG217
|
4.3
|
0.0
|
1.0
|
HG23
|
B:VAL253
|
4.4
|
0.0
|
1.0
|
C
|
B:ILE14
|
4.4
|
27.5
|
1.0
|
CZ
|
B:ARG217
|
4.4
|
29.9
|
1.0
|
CG1
|
B:ILE18
|
4.4
|
26.3
|
1.0
|
CD
|
B:ARG217
|
4.5
|
29.9
|
1.0
|
NE
|
B:ARG217
|
4.5
|
29.9
|
1.0
|
N1
|
B:ZFY602
|
4.6
|
29.3
|
1.0
|
HG12
|
B:ILE19
|
4.6
|
0.0
|
1.0
|
HD2
|
B:ARG217
|
4.6
|
0.0
|
1.0
|
HD11
|
B:ILE18
|
4.7
|
0.0
|
1.0
|
HG22
|
B:ILE244
|
4.7
|
0.0
|
1.0
|
HG12
|
B:VAL253
|
4.8
|
0.0
|
1.0
|
C3
|
B:ZFY602
|
4.8
|
29.3
|
1.0
|
H
|
B:ILE18
|
4.8
|
0.0
|
1.0
|
H
|
B:ILE19
|
4.9
|
0.0
|
1.0
|
HG13
|
B:ILE18
|
4.9
|
0.0
|
1.0
|
HG21
|
B:ILE244
|
5.0
|
0.0
|
1.0
|
C10
|
B:ZFY602
|
5.0
|
29.3
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 6 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F602
b:29.3
occ:1.00
|
F3
|
B:ZFY602
|
0.0
|
29.3
|
1.0
|
C5
|
B:ZFY602
|
1.3
|
29.3
|
1.0
|
F1
|
B:ZFY602
|
2.2
|
29.3
|
1.0
|
F2
|
B:ZFY602
|
2.2
|
29.3
|
1.0
|
C1
|
B:ZFY602
|
2.3
|
29.3
|
1.0
|
HG23
|
B:VAL253
|
2.4
|
0.0
|
1.0
|
HG23
|
B:ILE18
|
2.5
|
0.0
|
1.0
|
HD11
|
B:ILE19
|
2.6
|
0.0
|
1.0
|
HG21
|
B:ILE18
|
2.6
|
0.0
|
1.0
|
HG12
|
B:VAL253
|
2.7
|
0.0
|
1.0
|
N2
|
B:ZFY602
|
2.9
|
29.3
|
1.0
|
HB
|
B:ILE18
|
3.0
|
0.0
|
1.0
|
CG2
|
B:ILE18
|
3.0
|
26.3
|
1.0
|
HD12
|
B:ILE19
|
3.2
|
0.0
|
1.0
|
CG2
|
B:VAL253
|
3.3
|
29.4
|
1.0
|
CD1
|
B:ILE19
|
3.4
|
26.3
|
1.0
|
C2
|
B:ZFY602
|
3.4
|
29.3
|
1.0
|
HG22
|
B:ILE244
|
3.5
|
0.0
|
1.0
|
HG22
|
B:VAL253
|
3.5
|
0.0
|
1.0
|
CB
|
B:ILE18
|
3.5
|
26.3
|
1.0
|
CG1
|
B:VAL253
|
3.6
|
29.4
|
1.0
|
H2
|
B:ZFY602
|
3.6
|
0.0
|
1.0
|
HG13
|
B:VAL253
|
3.8
|
0.0
|
1.0
|
HD13
|
B:ILE18
|
3.8
|
0.0
|
1.0
|
HD13
|
B:ILE19
|
3.8
|
0.0
|
1.0
|
HG22
|
B:ILE18
|
4.0
|
0.0
|
1.0
|
CB
|
B:VAL253
|
4.0
|
29.4
|
1.0
|
HD12
|
B:ILE18
|
4.1
|
0.0
|
1.0
|
HA3
|
B:GLY15
|
4.1
|
0.0
|
1.0
|
HG21
|
B:VAL253
|
4.1
|
0.0
|
1.0
|
C4
|
B:ZFY602
|
4.2
|
29.3
|
1.0
|
CD1
|
B:ILE18
|
4.3
|
26.3
|
1.0
|
HB
|
B:VAL253
|
4.3
|
0.0
|
1.0
|
HG21
|
B:ILE244
|
4.3
|
0.0
|
1.0
|
CG2
|
B:ILE244
|
4.4
|
29.1
|
1.0
|
HG11
|
B:VAL253
|
4.4
|
0.0
|
1.0
|
O
|
B:GLY15
|
4.4
|
25.3
|
1.0
|
CG1
|
B:ILE18
|
4.5
|
26.3
|
1.0
|
H
|
B:ILE19
|
4.5
|
0.0
|
1.0
|
HG12
|
B:ILE19
|
4.6
|
0.0
|
1.0
|
N1
|
B:ZFY602
|
4.6
|
29.3
|
1.0
|
N
|
B:ILE19
|
4.6
|
26.3
|
1.0
|
C
|
B:ILE18
|
4.6
|
26.3
|
1.0
|
CG1
|
B:ILE19
|
4.6
|
26.3
|
1.0
|
HG23
|
B:ILE244
|
4.6
|
0.0
|
1.0
|
CA
|
B:ILE18
|
4.7
|
26.3
|
1.0
|
HG22
|
B:THR250
|
4.7
|
0.0
|
1.0
|
H10
|
B:ZFY602
|
4.7
|
0.0
|
1.0
|
HD3
|
B:ARG217
|
4.8
|
0.0
|
1.0
|
HA
|
B:THR250
|
4.8
|
0.0
|
1.0
|
C3
|
B:ZFY602
|
4.9
|
29.3
|
1.0
|
HG22
|
B:VAL247
|
4.9
|
0.0
|
1.0
|
HA
|
B:ILE19
|
4.9
|
0.0
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 7 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:29.3
occ:1.00
|
F1
|
C:ZFY601
|
0.0
|
29.3
|
1.0
|
C5
|
C:ZFY601
|
1.3
|
29.3
|
1.0
|
F2
|
C:ZFY601
|
2.2
|
29.3
|
1.0
|
F3
|
C:ZFY601
|
2.2
|
29.3
|
1.0
|
C1
|
C:ZFY601
|
2.4
|
29.3
|
1.0
|
H2
|
C:ZFY601
|
2.4
|
0.0
|
1.0
|
HD12
|
C:ILE19
|
2.5
|
0.0
|
1.0
|
HD3
|
C:ARG217
|
2.7
|
0.0
|
1.0
|
HG22
|
C:ILE244
|
2.7
|
0.0
|
1.0
|
C2
|
C:ZFY601
|
2.8
|
29.3
|
1.0
|
HG21
|
C:ILE244
|
2.9
|
0.0
|
1.0
|
HD2
|
C:ARG217
|
3.0
|
0.0
|
1.0
|
HD11
|
C:ILE19
|
3.1
|
0.0
|
1.0
|
CD1
|
C:ILE19
|
3.3
|
26.3
|
1.0
|
CD
|
C:ARG217
|
3.3
|
29.9
|
1.0
|
CG2
|
C:ILE244
|
3.3
|
29.1
|
1.0
|
N2
|
C:ZFY601
|
3.6
|
29.3
|
1.0
|
HA3
|
C:GLY15
|
3.7
|
0.0
|
1.0
|
HH11
|
C:ARG217
|
3.8
|
0.0
|
1.0
|
O
|
C:ILE14
|
3.8
|
27.5
|
1.0
|
NE
|
C:ARG217
|
3.9
|
29.9
|
1.0
|
HD13
|
C:ILE19
|
3.9
|
0.0
|
1.0
|
HG23
|
C:ILE244
|
4.0
|
0.0
|
1.0
|
HG12
|
C:VAL253
|
4.1
|
0.0
|
1.0
|
N1
|
C:ZFY601
|
4.1
|
29.3
|
1.0
|
HG23
|
C:VAL253
|
4.1
|
0.0
|
1.0
|
HB
|
C:ILE244
|
4.3
|
0.0
|
1.0
|
HG12
|
C:ILE19
|
4.3
|
0.0
|
1.0
|
HB2
|
C:ARG217
|
4.3
|
0.0
|
1.0
|
NH1
|
C:ARG217
|
4.3
|
29.9
|
1.0
|
HB
|
C:ILE18
|
4.3
|
0.0
|
1.0
|
CZ
|
C:ARG217
|
4.4
|
29.9
|
1.0
|
CG1
|
C:ILE19
|
4.4
|
26.3
|
1.0
|
HE
|
C:ARG217
|
4.4
|
0.0
|
1.0
|
CB
|
C:ILE244
|
4.4
|
29.1
|
1.0
|
HG22
|
C:VAL253
|
4.5
|
0.0
|
1.0
|
HG13
|
C:VAL253
|
4.5
|
0.0
|
1.0
|
HD12
|
C:ILE244
|
4.6
|
0.0
|
1.0
|
HG23
|
C:ILE18
|
4.6
|
0.0
|
1.0
|
HG21
|
C:ILE18
|
4.6
|
0.0
|
1.0
|
CG
|
C:ARG217
|
4.7
|
29.9
|
1.0
|
HG13
|
C:ILE19
|
4.7
|
0.0
|
1.0
|
O
|
C:GLY15
|
4.7
|
25.3
|
1.0
|
C4
|
C:ZFY601
|
4.7
|
29.3
|
1.0
|
CA
|
C:GLY15
|
4.7
|
25.3
|
1.0
|
CG1
|
C:VAL253
|
4.8
|
29.4
|
1.0
|
CG2
|
C:VAL253
|
4.8
|
29.4
|
1.0
|
C3
|
C:ZFY601
|
4.9
|
29.3
|
1.0
|
C
|
C:ILE14
|
4.9
|
27.5
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 8 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:29.3
occ:1.00
|
F2
|
C:ZFY601
|
0.0
|
29.3
|
1.0
|
C5
|
C:ZFY601
|
1.3
|
29.3
|
1.0
|
F1
|
C:ZFY601
|
2.2
|
29.3
|
1.0
|
F3
|
C:ZFY601
|
2.2
|
29.3
|
1.0
|
HA3
|
C:GLY15
|
2.3
|
0.0
|
1.0
|
C1
|
C:ZFY601
|
2.3
|
29.3
|
1.0
|
N2
|
C:ZFY601
|
2.8
|
29.3
|
1.0
|
HB
|
C:ILE18
|
3.0
|
0.0
|
1.0
|
HD12
|
C:ILE18
|
3.0
|
0.0
|
1.0
|
CA
|
C:GLY15
|
3.4
|
25.3
|
1.0
|
C2
|
C:ZFY601
|
3.5
|
29.3
|
1.0
|
HG23
|
C:ILE18
|
3.6
|
0.0
|
1.0
|
HD13
|
C:ILE18
|
3.6
|
0.0
|
1.0
|
HD11
|
C:ILE19
|
3.6
|
0.0
|
1.0
|
HH11
|
C:ARG217
|
3.6
|
0.0
|
1.0
|
HD3
|
C:ARG217
|
3.7
|
0.0
|
1.0
|
O
|
C:ILE14
|
3.7
|
27.5
|
1.0
|
HA2
|
C:GLY15
|
3.7
|
0.0
|
1.0
|
H2
|
C:ZFY601
|
3.8
|
0.0
|
1.0
|
O
|
C:GLY15
|
3.8
|
25.3
|
1.0
|
CD1
|
C:ILE18
|
3.8
|
26.3
|
1.0
|
HD12
|
C:ILE19
|
3.9
|
0.0
|
1.0
|
CB
|
C:ILE18
|
3.9
|
26.3
|
1.0
|
NH1
|
C:ARG217
|
4.0
|
29.9
|
1.0
|
C
|
C:GLY15
|
4.0
|
25.3
|
1.0
|
C4
|
C:ZFY601
|
4.1
|
29.3
|
1.0
|
CG2
|
C:ILE18
|
4.1
|
26.3
|
1.0
|
H10
|
C:ZFY601
|
4.1
|
0.0
|
1.0
|
HG21
|
C:ILE18
|
4.2
|
0.0
|
1.0
|
CD1
|
C:ILE19
|
4.3
|
26.3
|
1.0
|
N
|
C:GLY15
|
4.3
|
25.3
|
1.0
|
HH12
|
C:ARG217
|
4.3
|
0.0
|
1.0
|
HG23
|
C:VAL253
|
4.4
|
0.0
|
1.0
|
C
|
C:ILE14
|
4.4
|
27.5
|
1.0
|
CZ
|
C:ARG217
|
4.4
|
29.9
|
1.0
|
CG1
|
C:ILE18
|
4.4
|
26.3
|
1.0
|
CD
|
C:ARG217
|
4.5
|
29.9
|
1.0
|
NE
|
C:ARG217
|
4.5
|
29.9
|
1.0
|
N1
|
C:ZFY601
|
4.6
|
29.3
|
1.0
|
HG12
|
C:ILE19
|
4.6
|
0.0
|
1.0
|
HD2
|
C:ARG217
|
4.6
|
0.0
|
1.0
|
HD11
|
C:ILE18
|
4.7
|
0.0
|
1.0
|
HG22
|
C:ILE244
|
4.7
|
0.0
|
1.0
|
HG12
|
C:VAL253
|
4.8
|
0.0
|
1.0
|
C3
|
C:ZFY601
|
4.8
|
29.3
|
1.0
|
H
|
C:ILE18
|
4.8
|
0.0
|
1.0
|
H
|
C:ILE19
|
4.9
|
0.0
|
1.0
|
HG13
|
C:ILE18
|
4.9
|
0.0
|
1.0
|
HG21
|
C:ILE244
|
5.0
|
0.0
|
1.0
|
C10
|
C:ZFY601
|
5.0
|
29.3
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 9 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:29.3
occ:1.00
|
F3
|
C:ZFY601
|
0.0
|
29.3
|
1.0
|
C5
|
C:ZFY601
|
1.3
|
29.3
|
1.0
|
F1
|
C:ZFY601
|
2.2
|
29.3
|
1.0
|
F2
|
C:ZFY601
|
2.2
|
29.3
|
1.0
|
C1
|
C:ZFY601
|
2.3
|
29.3
|
1.0
|
HG23
|
C:VAL253
|
2.4
|
0.0
|
1.0
|
HG23
|
C:ILE18
|
2.5
|
0.0
|
1.0
|
HD11
|
C:ILE19
|
2.6
|
0.0
|
1.0
|
HG21
|
C:ILE18
|
2.6
|
0.0
|
1.0
|
HG12
|
C:VAL253
|
2.7
|
0.0
|
1.0
|
N2
|
C:ZFY601
|
2.9
|
29.3
|
1.0
|
HB
|
C:ILE18
|
3.0
|
0.0
|
1.0
|
CG2
|
C:ILE18
|
3.0
|
26.3
|
1.0
|
HD12
|
C:ILE19
|
3.2
|
0.0
|
1.0
|
CG2
|
C:VAL253
|
3.3
|
29.4
|
1.0
|
CD1
|
C:ILE19
|
3.4
|
26.3
|
1.0
|
C2
|
C:ZFY601
|
3.4
|
29.3
|
1.0
|
HG22
|
C:ILE244
|
3.5
|
0.0
|
1.0
|
HG22
|
C:VAL253
|
3.5
|
0.0
|
1.0
|
CB
|
C:ILE18
|
3.5
|
26.3
|
1.0
|
CG1
|
C:VAL253
|
3.6
|
29.4
|
1.0
|
H2
|
C:ZFY601
|
3.6
|
0.0
|
1.0
|
HG13
|
C:VAL253
|
3.8
|
0.0
|
1.0
|
HD13
|
C:ILE18
|
3.8
|
0.0
|
1.0
|
HD13
|
C:ILE19
|
3.8
|
0.0
|
1.0
|
HG22
|
C:ILE18
|
4.0
|
0.0
|
1.0
|
CB
|
C:VAL253
|
4.0
|
29.4
|
1.0
|
HD12
|
C:ILE18
|
4.1
|
0.0
|
1.0
|
HA3
|
C:GLY15
|
4.1
|
0.0
|
1.0
|
HG21
|
C:VAL253
|
4.1
|
0.0
|
1.0
|
C4
|
C:ZFY601
|
4.2
|
29.3
|
1.0
|
CD1
|
C:ILE18
|
4.3
|
26.3
|
1.0
|
HB
|
C:VAL253
|
4.3
|
0.0
|
1.0
|
HG21
|
C:ILE244
|
4.3
|
0.0
|
1.0
|
CG2
|
C:ILE244
|
4.4
|
29.1
|
1.0
|
HG11
|
C:VAL253
|
4.4
|
0.0
|
1.0
|
O
|
C:GLY15
|
4.4
|
25.3
|
1.0
|
H
|
C:ILE19
|
4.5
|
0.0
|
1.0
|
CG1
|
C:ILE18
|
4.5
|
26.3
|
1.0
|
HG12
|
C:ILE19
|
4.6
|
0.0
|
1.0
|
N1
|
C:ZFY601
|
4.6
|
29.3
|
1.0
|
N
|
C:ILE19
|
4.6
|
26.3
|
1.0
|
C
|
C:ILE18
|
4.6
|
26.3
|
1.0
|
CG1
|
C:ILE19
|
4.6
|
26.3
|
1.0
|
HG23
|
C:ILE244
|
4.6
|
0.0
|
1.0
|
CA
|
C:ILE18
|
4.7
|
26.3
|
1.0
|
HG22
|
C:THR250
|
4.7
|
0.0
|
1.0
|
H10
|
C:ZFY601
|
4.7
|
0.0
|
1.0
|
HD3
|
C:ARG217
|
4.8
|
0.0
|
1.0
|
HA
|
C:THR250
|
4.8
|
0.0
|
1.0
|
C3
|
C:ZFY601
|
4.9
|
29.3
|
1.0
|
HG22
|
C:VAL247
|
4.9
|
0.0
|
1.0
|
HA
|
C:ILE19
|
4.9
|
0.0
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 7mii
Go back to
Fluorine Binding Sites List in 7mii
Fluorine binding site 10 out
of 12 in the Human CTPS2 Bound to Inhibitor T35
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Human CTPS2 Bound to Inhibitor T35 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F602
b:29.3
occ:1.00
|
F1
|
E:ZFY602
|
0.0
|
29.3
|
1.0
|
C5
|
E:ZFY602
|
1.3
|
29.3
|
1.0
|
F2
|
E:ZFY602
|
2.2
|
29.3
|
1.0
|
F3
|
E:ZFY602
|
2.2
|
29.3
|
1.0
|
C1
|
E:ZFY602
|
2.4
|
29.3
|
1.0
|
H2
|
E:ZFY602
|
2.4
|
0.0
|
1.0
|
HD12
|
E:ILE19
|
2.5
|
0.0
|
1.0
|
HD3
|
E:ARG217
|
2.7
|
0.0
|
1.0
|
HG22
|
E:ILE244
|
2.7
|
0.0
|
1.0
|
C2
|
E:ZFY602
|
2.8
|
29.3
|
1.0
|
HG21
|
E:ILE244
|
2.9
|
0.0
|
1.0
|
HD2
|
E:ARG217
|
3.0
|
0.0
|
1.0
|
HD11
|
E:ILE19
|
3.1
|
0.0
|
1.0
|
CD1
|
E:ILE19
|
3.3
|
26.3
|
1.0
|
CD
|
E:ARG217
|
3.3
|
29.9
|
1.0
|
CG2
|
E:ILE244
|
3.3
|
29.1
|
1.0
|
N2
|
E:ZFY602
|
3.6
|
29.3
|
1.0
|
HA3
|
E:GLY15
|
3.7
|
0.0
|
1.0
|
HH11
|
E:ARG217
|
3.8
|
0.0
|
1.0
|
O
|
E:ILE14
|
3.8
|
27.5
|
1.0
|
NE
|
E:ARG217
|
3.9
|
29.9
|
1.0
|
HD13
|
E:ILE19
|
3.9
|
0.0
|
1.0
|
HG23
|
E:ILE244
|
4.0
|
0.0
|
1.0
|
HG12
|
E:VAL253
|
4.1
|
0.0
|
1.0
|
N1
|
E:ZFY602
|
4.1
|
29.3
|
1.0
|
HG23
|
E:VAL253
|
4.1
|
0.0
|
1.0
|
HB
|
E:ILE244
|
4.3
|
0.0
|
1.0
|
HG12
|
E:ILE19
|
4.3
|
0.0
|
1.0
|
HB2
|
E:ARG217
|
4.3
|
0.0
|
1.0
|
NH1
|
E:ARG217
|
4.3
|
29.9
|
1.0
|
HB
|
E:ILE18
|
4.3
|
0.0
|
1.0
|
CZ
|
E:ARG217
|
4.4
|
29.9
|
1.0
|
CG1
|
E:ILE19
|
4.4
|
26.3
|
1.0
|
HE
|
E:ARG217
|
4.4
|
0.0
|
1.0
|
CB
|
E:ILE244
|
4.4
|
29.1
|
1.0
|
HG22
|
E:VAL253
|
4.5
|
0.0
|
1.0
|
HG13
|
E:VAL253
|
4.5
|
0.0
|
1.0
|
HD12
|
E:ILE244
|
4.6
|
0.0
|
1.0
|
HG23
|
E:ILE18
|
4.6
|
0.0
|
1.0
|
HG21
|
E:ILE18
|
4.6
|
0.0
|
1.0
|
CG
|
E:ARG217
|
4.6
|
29.9
|
1.0
|
HG13
|
E:ILE19
|
4.7
|
0.0
|
1.0
|
O
|
E:GLY15
|
4.7
|
25.3
|
1.0
|
C4
|
E:ZFY602
|
4.7
|
29.3
|
1.0
|
CA
|
E:GLY15
|
4.7
|
25.3
|
1.0
|
CG1
|
E:VAL253
|
4.8
|
29.4
|
1.0
|
CG2
|
E:VAL253
|
4.8
|
29.4
|
1.0
|
C3
|
E:ZFY602
|
4.9
|
29.3
|
1.0
|
C
|
E:ILE14
|
4.9
|
27.5
|
1.0
|
|
Reference:
E.M.Lynch,
M.A.Dimattia,
S.Albanese,
G.C.P.Van Zundert,
J.M.Hansen,
J.D.Quispe,
M.A.Kennedy,
A.Verras,
K.Borrelli,
A.V.Toms,
N.Kaila,
K.D.Kreutter,
J.J.Mcelwee,
J.M.Kollman.
Structural Basis For Isoform-Specific Inhibition of Human CTPS1. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34583994
DOI: 10.1073/PNAS.2107968118
Page generated: Fri Aug 2 09:31:23 2024
|