Fluorine in PDB 8udt: The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
Enzymatic activity of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
All present enzymatic activity of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248:
2.7.10.1;
Protein crystallography data
The structure of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248, PDB code: 8udt
was solved by
J.S.Tyhonas,
L.D.Arnold,
J.Cox,
A.Franovic,
E.Gardiner,
K.Grandinetti,
R.Kania,
T.Kanouni,
M.Lardy,
C.Li,
E.S.Martin,
N.Miller,
A.Mohan,
E.A.Murphy,
M.Perez,
L.Soroceanu,
N.Timple,
S.Uryu,
S.Womble,
S.W.Kaldor,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
33.29 /
2.83
|
|
Space group
|
I 2 2 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.98,
160.44,
179.163,
90,
90,
90
|
|
R / Rfree (%)
|
26.2 /
27.4
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
(pdb code 8udt). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248, PDB code: 8udt:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 8udt
Go back to
Fluorine Binding Sites List in 8udt
Fluorine binding site 1 out
of 6 in the The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1003
b:94.2
occ:1.00
|
F1
|
A:WGF1003
|
0.0
|
94.2
|
1.0
|
|
C10
|
A:WGF1003
|
1.3
|
94.2
|
1.0
|
|
HG22
|
A:VAL486
|
2.2
|
92.3
|
0.0
|
|
C11
|
A:WGF1003
|
2.3
|
93.7
|
1.0
|
|
C9
|
A:WGF1003
|
2.4
|
94.7
|
1.0
|
|
HG21
|
A:VAL486
|
2.6
|
92.7
|
0.0
|
|
HB2
|
A:LYS508
|
2.6
|
74.9
|
0.0
|
|
HD3
|
A:LYS508
|
2.7
|
86.4
|
0.0
|
|
C8
|
A:WGF1003
|
2.8
|
96.2
|
1.0
|
|
CG2
|
A:VAL486
|
2.8
|
96.0
|
1.0
|
|
HG13
|
A:VAL486
|
2.9
|
91.7
|
0.0
|
|
HG11
|
A:VAL486
|
3.1
|
92.2
|
0.0
|
|
CG1
|
A:VAL486
|
3.4
|
96.2
|
1.0
|
|
C7
|
A:WGF1003
|
3.6
|
97.6
|
1.0
|
|
C12
|
A:WGF1003
|
3.6
|
93.4
|
1.0
|
|
C18
|
A:WGF1003
|
3.6
|
94.0
|
1.0
|
|
CB
|
A:LYS508
|
3.6
|
81.5
|
1.0
|
|
CB
|
A:VAL486
|
3.7
|
95.9
|
1.0
|
|
HG23
|
A:VAL486
|
3.7
|
94.9
|
0.0
|
|
CD
|
A:LYS508
|
3.7
|
91.4
|
1.0
|
|
HG21
|
A:VAL555
|
3.7
|
59.8
|
0.0
|
|
HA
|
A:LYS508
|
3.9
|
75.4
|
0.0
|
|
O
|
A:HOH1108
|
3.9
|
83.5
|
1.0
|
|
HD2
|
A:LYS508
|
3.9
|
88.9
|
0.0
|
|
C13
|
A:WGF1003
|
4.1
|
93.6
|
1.0
|
|
HG22
|
A:VAL555
|
4.1
|
60.2
|
0.0
|
|
CA
|
A:LYS508
|
4.2
|
79.2
|
1.0
|
|
HB1
|
A:ALA506
|
4.2
|
67.7
|
0.0
|
|
HA
|
A:VAL486
|
4.2
|
93.8
|
0.0
|
|
CG
|
A:LYS508
|
4.3
|
86.2
|
1.0
|
|
N
|
A:LYS508
|
4.3
|
77.7
|
1.0
|
|
HB3
|
A:LYS508
|
4.4
|
74.5
|
0.0
|
|
HZ3
|
A:LYS508
|
4.4
|
94.8
|
0.0
|
|
CG2
|
A:VAL555
|
4.4
|
70.3
|
1.0
|
|
HG12
|
A:VAL486
|
4.4
|
93.7
|
0.0
|
|
HB
|
A:VAL486
|
4.5
|
95.5
|
0.0
|
|
CA
|
A:VAL486
|
4.6
|
95.6
|
1.0
|
|
H
|
A:LYS508
|
4.6
|
70.5
|
0.0
|
|
C
|
A:VAL507
|
4.7
|
76.6
|
1.0
|
|
C6
|
A:WGF1003
|
4.7
|
98.9
|
1.0
|
|
F2
|
A:WGF1003
|
4.7
|
93.7
|
1.0
|
|
HG2
|
A:LYS508
|
4.8
|
80.7
|
0.0
|
|
O
|
A:VAL507
|
4.8
|
76.4
|
1.0
|
|
HB3
|
A:ALA506
|
4.8
|
65.7
|
0.0
|
|
CE
|
A:LYS508
|
4.8
|
95.8
|
1.0
|
|
N5
|
A:WGF1003
|
4.8
|
93.0
|
1.0
|
|
HG23
|
A:VAL555
|
4.9
|
59.8
|
0.0
|
|
NZ
|
A:LYS508
|
5.0
|
98.5
|
1.0
|
|
HG11
|
A:VAL555
|
5.0
|
58.8
|
0.0
|
|
CB
|
A:ALA506
|
5.0
|
74.4
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 8udt
Go back to
Fluorine Binding Sites List in 8udt
Fluorine binding site 2 out
of 6 in the The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1003
b:93.7
occ:1.00
|
F2
|
A:WGF1003
|
0.0
|
93.7
|
1.0
|
|
C18
|
A:WGF1003
|
1.3
|
94.0
|
1.0
|
|
HB1
|
A:ALA634
|
2.3
|
75.5
|
0.0
|
|
C9
|
A:WGF1003
|
2.4
|
94.7
|
1.0
|
|
C13
|
A:WGF1003
|
2.4
|
93.6
|
1.0
|
|
HG21
|
A:ILE539
|
2.7
|
55.3
|
0.0
|
|
C8
|
A:WGF1003
|
2.8
|
96.2
|
1.0
|
|
N4
|
A:WGF1003
|
3.0
|
93.3
|
1.0
|
|
HG13
|
A:ILE539
|
3.1
|
56.0
|
0.0
|
|
CB
|
A:ALA634
|
3.3
|
86.2
|
1.0
|
|
HD11
|
A:LEU624
|
3.3
|
68.0
|
0.0
|
|
H
|
A:ASP635
|
3.4
|
79.7
|
0.0
|
|
HB2
|
A:ALA634
|
3.4
|
75.0
|
0.0
|
|
C7
|
A:WGF1003
|
3.5
|
97.6
|
1.0
|
|
HG21
|
A:VAL555
|
3.6
|
59.8
|
0.0
|
|
C10
|
A:WGF1003
|
3.6
|
94.2
|
1.0
|
|
CG2
|
A:ILE539
|
3.6
|
67.4
|
1.0
|
|
C12
|
A:WGF1003
|
3.7
|
93.4
|
1.0
|
|
HD12
|
A:LEU624
|
3.7
|
66.5
|
0.0
|
|
HA
|
A:ALA634
|
3.8
|
73.5
|
0.0
|
|
HB
|
A:ILE539
|
3.8
|
54.0
|
0.0
|
|
HG22
|
A:ILE539
|
3.9
|
54.3
|
0.0
|
|
HB3
|
A:ALA634
|
4.0
|
75.8
|
0.0
|
|
CD1
|
A:LEU624
|
4.0
|
76.4
|
1.0
|
|
CG1
|
A:ILE539
|
4.0
|
67.7
|
1.0
|
|
CB
|
A:ILE539
|
4.1
|
67.1
|
1.0
|
|
CA
|
A:ALA634
|
4.1
|
86.1
|
1.0
|
|
N
|
A:ASP635
|
4.2
|
91.2
|
1.0
|
|
C11
|
A:WGF1003
|
4.2
|
93.7
|
1.0
|
|
C14
|
A:WGF1003
|
4.2
|
93.1
|
1.0
|
|
HD12
|
A:ILE539
|
4.4
|
57.5
|
0.0
|
|
OD1
|
A:ASP635
|
4.4
|
102.6
|
1.0
|
|
HG23
|
A:ILE539
|
4.5
|
54.9
|
0.0
|
|
N6
|
A:WGF1003
|
4.5
|
98.4
|
1.0
|
|
CG2
|
A:VAL555
|
4.5
|
70.3
|
1.0
|
|
HG23
|
A:VAL555
|
4.5
|
59.8
|
0.0
|
|
HD13
|
A:LEU624
|
4.6
|
68.3
|
0.0
|
|
CG
|
A:ASP635
|
4.6
|
101.9
|
1.0
|
|
OD2
|
A:ASP635
|
4.6
|
104.2
|
1.0
|
|
N5
|
A:WGF1003
|
4.6
|
93.0
|
1.0
|
|
C
|
A:ALA634
|
4.6
|
88.7
|
1.0
|
|
C6
|
A:WGF1003
|
4.7
|
98.9
|
1.0
|
|
HG11
|
A:VAL555
|
4.7
|
58.8
|
0.0
|
|
F1
|
A:WGF1003
|
4.7
|
94.2
|
1.0
|
|
CD1
|
A:ILE539
|
4.8
|
68.8
|
1.0
|
|
O
|
A:HOH1137
|
4.8
|
80.8
|
1.0
|
|
HG12
|
A:ILE539
|
4.8
|
55.3
|
0.0
|
|
HB
|
A:VAL555
|
4.9
|
57.8
|
0.0
|
|
Fluorine binding site 3 out
of 6 in 8udt
Go back to
Fluorine Binding Sites List in 8udt
Fluorine binding site 3 out
of 6 in the The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F2001
b:119.9
occ:1.00
|
F1
|
B:WGF2001
|
0.0
|
119.9
|
1.0
|
|
C10
|
B:WGF2001
|
1.3
|
120.0
|
1.0
|
|
HG22
|
B:VAL486
|
2.2
|
158.7
|
0.0
|
|
C9
|
B:WGF2001
|
2.3
|
120.6
|
1.0
|
|
C11
|
B:WGF2001
|
2.4
|
119.7
|
1.0
|
|
HB2
|
B:LYS508
|
2.5
|
157.2
|
0.0
|
|
HG21
|
B:VAL486
|
2.6
|
158.1
|
0.0
|
|
HD3
|
B:LYS508
|
2.7
|
166.5
|
0.0
|
|
C8
|
B:WGF2001
|
2.8
|
122.0
|
1.0
|
|
CG2
|
B:VAL486
|
2.9
|
150.4
|
1.0
|
|
HG13
|
B:VAL486
|
2.9
|
159.0
|
0.0
|
|
HG11
|
B:VAL486
|
3.1
|
158.4
|
0.0
|
|
CG1
|
B:VAL486
|
3.4
|
150.4
|
1.0
|
|
C7
|
B:WGF2001
|
3.5
|
123.6
|
1.0
|
|
CB
|
B:LYS508
|
3.6
|
151.6
|
1.0
|
|
C12
|
B:WGF2001
|
3.6
|
119.4
|
1.0
|
|
C18
|
B:WGF2001
|
3.6
|
120.0
|
1.0
|
|
CD
|
B:LYS508
|
3.7
|
160.5
|
1.0
|
|
CB
|
B:VAL486
|
3.7
|
150.1
|
1.0
|
|
HG23
|
B:VAL486
|
3.7
|
161.1
|
0.0
|
|
HG21
|
B:VAL555
|
3.7
|
115.7
|
0.0
|
|
HA
|
B:LYS508
|
3.8
|
160.1
|
0.0
|
|
HD2
|
B:LYS508
|
3.9
|
170.1
|
0.0
|
|
CA
|
B:LYS508
|
4.1
|
149.7
|
1.0
|
|
C13
|
B:WGF2001
|
4.1
|
119.5
|
1.0
|
|
HG22
|
B:VAL555
|
4.1
|
117.8
|
0.0
|
|
HZ2
|
B:LYS508
|
4.2
|
172.7
|
0.0
|
|
CG
|
B:LYS508
|
4.2
|
156.0
|
1.0
|
|
HA
|
B:VAL486
|
4.2
|
162.3
|
0.0
|
|
HB1
|
B:ALA506
|
4.2
|
158.4
|
0.0
|
|
N
|
B:LYS508
|
4.2
|
149.5
|
1.0
|
|
HB3
|
B:LYS508
|
4.3
|
157.5
|
0.0
|
|
CG2
|
B:VAL555
|
4.4
|
116.0
|
1.0
|
|
HG12
|
B:VAL486
|
4.4
|
161.6
|
0.0
|
|
H
|
B:LYS508
|
4.5
|
156.8
|
0.0
|
|
HB
|
B:VAL486
|
4.5
|
162.6
|
0.0
|
|
O
|
B:HOH2113
|
4.5
|
91.7
|
1.0
|
|
C
|
B:VAL507
|
4.6
|
150.0
|
1.0
|
|
CA
|
B:VAL486
|
4.6
|
149.7
|
1.0
|
|
C6
|
B:WGF2001
|
4.7
|
125.0
|
1.0
|
|
HG2
|
B:LYS508
|
4.7
|
162.0
|
0.0
|
|
O
|
B:VAL507
|
4.7
|
149.9
|
1.0
|
|
F2
|
B:WGF2001
|
4.7
|
119.9
|
1.0
|
|
CE
|
B:LYS508
|
4.8
|
164.2
|
1.0
|
|
HB3
|
B:ALA506
|
4.9
|
156.1
|
0.0
|
|
N5
|
B:WGF2001
|
4.9
|
119.0
|
1.0
|
|
NZ
|
B:LYS508
|
5.0
|
166.5
|
1.0
|
|
HG23
|
B:VAL555
|
5.0
|
116.5
|
0.0
|
|
HE2
|
B:LYS508
|
5.0
|
169.7
|
0.0
|
|
Fluorine binding site 4 out
of 6 in 8udt
Go back to
Fluorine Binding Sites List in 8udt
Fluorine binding site 4 out
of 6 in the The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F2001
b:119.9
occ:1.00
|
F2
|
B:WGF2001
|
0.0
|
119.9
|
1.0
|
|
C18
|
B:WGF2001
|
1.3
|
120.0
|
1.0
|
|
HB1
|
B:ALA634
|
2.3
|
91.2
|
0.0
|
|
C13
|
B:WGF2001
|
2.4
|
119.5
|
1.0
|
|
C9
|
B:WGF2001
|
2.4
|
120.6
|
1.0
|
|
C8
|
B:WGF2001
|
2.8
|
122.0
|
1.0
|
|
HG21
|
B:ILE539
|
2.8
|
93.8
|
0.0
|
|
N4
|
B:WGF2001
|
3.0
|
119.2
|
1.0
|
|
HG13
|
B:ILE539
|
3.2
|
93.0
|
0.0
|
|
HD11
|
B:LEU624
|
3.2
|
90.0
|
0.0
|
|
CB
|
B:ALA634
|
3.3
|
96.0
|
1.0
|
|
HB2
|
B:ALA634
|
3.4
|
90.4
|
0.0
|
|
H
|
B:ASP635
|
3.4
|
93.0
|
0.0
|
|
C7
|
B:WGF2001
|
3.5
|
123.6
|
1.0
|
|
HG21
|
B:VAL555
|
3.6
|
115.7
|
0.0
|
|
C12
|
B:WGF2001
|
3.6
|
119.4
|
1.0
|
|
C10
|
B:WGF2001
|
3.6
|
120.0
|
1.0
|
|
HD12
|
B:LEU624
|
3.6
|
88.5
|
0.0
|
|
HA
|
B:ALA634
|
3.8
|
88.6
|
0.0
|
|
CG2
|
B:ILE539
|
3.8
|
97.5
|
1.0
|
|
HB
|
B:ILE539
|
3.9
|
90.7
|
0.0
|
|
CD1
|
B:LEU624
|
3.9
|
91.4
|
1.0
|
|
HB3
|
B:ALA634
|
4.0
|
90.3
|
0.0
|
|
CA
|
B:ALA634
|
4.1
|
95.8
|
1.0
|
|
HG22
|
B:ILE539
|
4.1
|
92.9
|
0.0
|
|
CG1
|
B:ILE539
|
4.1
|
98.0
|
1.0
|
|
C11
|
B:WGF2001
|
4.1
|
119.7
|
1.0
|
|
N
|
B:ASP635
|
4.2
|
99.0
|
1.0
|
|
CB
|
B:ILE539
|
4.2
|
97.1
|
1.0
|
|
C14
|
B:WGF2001
|
4.2
|
119.0
|
1.0
|
|
OD1
|
B:ASP635
|
4.4
|
109.7
|
1.0
|
|
HD12
|
B:ILE539
|
4.4
|
96.6
|
0.0
|
|
CG2
|
B:VAL555
|
4.5
|
116.0
|
1.0
|
|
HG23
|
B:VAL555
|
4.5
|
116.5
|
0.0
|
|
HD13
|
B:LEU624
|
4.5
|
90.8
|
0.0
|
|
N6
|
B:WGF2001
|
4.5
|
124.7
|
1.0
|
|
N5
|
B:WGF2001
|
4.6
|
119.0
|
1.0
|
|
CG
|
B:ASP635
|
4.6
|
109.3
|
1.0
|
|
OD2
|
B:ASP635
|
4.6
|
112.5
|
1.0
|
|
C
|
B:ALA634
|
4.6
|
97.6
|
1.0
|
|
HG23
|
B:ILE539
|
4.6
|
94.0
|
0.0
|
|
HG11
|
B:VAL555
|
4.6
|
114.3
|
0.0
|
|
C6
|
B:WGF2001
|
4.7
|
125.0
|
1.0
|
|
O
|
B:HOH2122
|
4.7
|
90.1
|
1.0
|
|
F1
|
B:WGF2001
|
4.7
|
119.9
|
1.0
|
|
HB
|
B:VAL555
|
4.9
|
113.5
|
0.0
|
|
CD1
|
B:ILE539
|
4.9
|
99.4
|
1.0
|
|
HG12
|
B:ILE539
|
4.9
|
91.9
|
0.0
|
|
HG
|
B:LEU624
|
4.9
|
87.1
|
0.0
|
|
Fluorine binding site 5 out
of 6 in 8udt
Go back to
Fluorine Binding Sites List in 8udt
Fluorine binding site 5 out
of 6 in the The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F2001
b:106.8
occ:1.00
|
F1
|
C:WGF2001
|
0.0
|
106.8
|
1.0
|
|
C10
|
C:WGF2001
|
1.3
|
106.8
|
1.0
|
|
HG22
|
C:VAL486
|
2.2
|
93.1
|
0.0
|
|
C11
|
C:WGF2001
|
2.3
|
106.4
|
1.0
|
|
C9
|
C:WGF2001
|
2.4
|
107.4
|
1.0
|
|
HB2
|
C:LYS508
|
2.5
|
68.4
|
0.0
|
|
HG21
|
C:VAL486
|
2.6
|
93.4
|
0.0
|
|
C8
|
C:WGF2001
|
2.8
|
108.7
|
1.0
|
|
CG2
|
C:VAL486
|
2.8
|
99.7
|
1.0
|
|
HG13
|
C:VAL486
|
2.9
|
92.2
|
0.0
|
|
HG11
|
C:VAL486
|
3.1
|
92.7
|
0.0
|
|
HD2
|
C:LYS508
|
3.1
|
79.0
|
0.0
|
|
CG1
|
C:VAL486
|
3.4
|
99.6
|
1.0
|
|
C7
|
C:WGF2001
|
3.5
|
110.1
|
1.0
|
|
CB
|
C:LYS508
|
3.6
|
77.2
|
1.0
|
|
C12
|
C:WGF2001
|
3.6
|
106.1
|
1.0
|
|
C18
|
C:WGF2001
|
3.6
|
106.8
|
1.0
|
|
CB
|
C:VAL486
|
3.7
|
99.4
|
1.0
|
|
HG23
|
C:VAL486
|
3.7
|
95.6
|
0.0
|
|
HG21
|
C:VAL555
|
3.7
|
60.3
|
0.0
|
|
HA
|
C:LYS508
|
4.0
|
69.0
|
0.0
|
|
CD
|
C:LYS508
|
4.1
|
86.6
|
1.0
|
|
C13
|
C:WGF2001
|
4.1
|
106.3
|
1.0
|
|
HG22
|
C:VAL555
|
4.1
|
60.6
|
0.0
|
|
HB1
|
C:ALA506
|
4.2
|
63.2
|
0.0
|
|
HA
|
C:VAL486
|
4.2
|
94.7
|
0.0
|
|
CG
|
C:LYS508
|
4.2
|
81.6
|
1.0
|
|
HG3
|
C:LYS508
|
4.2
|
76.5
|
0.0
|
|
CA
|
C:LYS508
|
4.2
|
75.3
|
1.0
|
|
HB3
|
C:LYS508
|
4.3
|
68.1
|
0.0
|
|
N
|
C:LYS508
|
4.4
|
74.5
|
1.0
|
|
HG12
|
C:VAL486
|
4.4
|
94.1
|
0.0
|
|
CG2
|
C:VAL555
|
4.4
|
73.0
|
1.0
|
|
HB
|
C:VAL486
|
4.5
|
95.9
|
0.0
|
|
CA
|
C:VAL486
|
4.6
|
99.4
|
1.0
|
|
O
|
C:HOH2117
|
4.6
|
97.2
|
1.0
|
|
HD3
|
C:LYS508
|
4.6
|
78.8
|
0.0
|
|
H
|
C:LYS508
|
4.6
|
64.6
|
0.0
|
|
C
|
C:VAL507
|
4.7
|
74.1
|
1.0
|
|
C6
|
C:WGF2001
|
4.7
|
111.2
|
1.0
|
|
F2
|
C:WGF2001
|
4.7
|
106.7
|
1.0
|
|
O
|
C:VAL507
|
4.8
|
74.0
|
1.0
|
|
HB3
|
C:ALA506
|
4.8
|
61.6
|
0.0
|
|
N5
|
C:WGF2001
|
4.9
|
105.8
|
1.0
|
|
O
|
C:HOH2121
|
4.9
|
94.6
|
1.0
|
|
HZ2
|
C:LYS508
|
4.9
|
87.3
|
0.0
|
|
HG23
|
C:VAL555
|
4.9
|
60.4
|
0.0
|
|
CB
|
C:ALA506
|
5.0
|
72.7
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 8udt
Go back to
Fluorine Binding Sites List in 8udt
Fluorine binding site 6 out
of 6 in the The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F2001
b:106.7
occ:1.00
|
F2
|
C:WGF2001
|
0.0
|
106.7
|
1.0
|
|
C18
|
C:WGF2001
|
1.3
|
106.8
|
1.0
|
|
HB1
|
C:ALA634
|
2.3
|
89.5
|
0.0
|
|
C9
|
C:WGF2001
|
2.4
|
107.4
|
1.0
|
|
C13
|
C:WGF2001
|
2.4
|
106.3
|
1.0
|
|
HG21
|
C:ILE539
|
2.7
|
65.3
|
0.0
|
|
C8
|
C:WGF2001
|
2.8
|
108.7
|
1.0
|
|
N4
|
C:WGF2001
|
3.0
|
106.1
|
1.0
|
|
HG13
|
C:ILE539
|
3.1
|
66.7
|
0.0
|
|
HD11
|
C:LEU624
|
3.3
|
84.3
|
0.0
|
|
CB
|
C:ALA634
|
3.3
|
101.6
|
1.0
|
|
HB2
|
C:ALA634
|
3.4
|
89.3
|
0.0
|
|
H
|
C:ASP635
|
3.4
|
93.5
|
0.0
|
|
C7
|
C:WGF2001
|
3.5
|
110.1
|
1.0
|
|
HG21
|
C:VAL555
|
3.6
|
60.3
|
0.0
|
|
HD12
|
C:LEU624
|
3.6
|
83.3
|
0.0
|
|
C10
|
C:WGF2001
|
3.6
|
106.8
|
1.0
|
|
C12
|
C:WGF2001
|
3.6
|
106.1
|
1.0
|
|
CG2
|
C:ILE539
|
3.7
|
78.8
|
1.0
|
|
HA
|
C:ALA634
|
3.7
|
88.0
|
0.0
|
|
HB
|
C:ILE539
|
3.9
|
64.6
|
0.0
|
|
CD1
|
C:LEU624
|
3.9
|
94.7
|
1.0
|
|
CG1
|
C:ILE539
|
4.0
|
79.6
|
1.0
|
|
HG22
|
C:ILE539
|
4.0
|
64.6
|
0.0
|
|
HB3
|
C:ALA634
|
4.0
|
89.8
|
0.0
|
|
CA
|
C:ALA634
|
4.1
|
101.5
|
1.0
|
|
O
|
C:HOH2101
|
4.1
|
88.5
|
1.0
|
|
CB
|
C:ILE539
|
4.1
|
78.5
|
1.0
|
|
C11
|
C:WGF2001
|
4.2
|
106.4
|
1.0
|
|
N
|
C:ASP635
|
4.2
|
106.4
|
1.0
|
|
C14
|
C:WGF2001
|
4.2
|
105.8
|
1.0
|
|
HD12
|
C:ILE539
|
4.3
|
68.3
|
0.0
|
|
OD1
|
C:ASP635
|
4.4
|
117.8
|
1.0
|
|
HG23
|
C:ILE539
|
4.5
|
65.2
|
0.0
|
|
N6
|
C:WGF2001
|
4.5
|
111.2
|
1.0
|
|
CG2
|
C:VAL555
|
4.5
|
73.0
|
1.0
|
|
HG23
|
C:VAL555
|
4.5
|
60.4
|
0.0
|
|
HD13
|
C:LEU624
|
4.5
|
84.8
|
0.0
|
|
C
|
C:ALA634
|
4.6
|
104.1
|
1.0
|
|
N5
|
C:WGF2001
|
4.6
|
105.8
|
1.0
|
|
CG
|
C:ASP635
|
4.6
|
116.9
|
1.0
|
|
OD2
|
C:ASP635
|
4.6
|
119.2
|
1.0
|
|
C6
|
C:WGF2001
|
4.7
|
111.2
|
1.0
|
|
HG11
|
C:VAL555
|
4.7
|
59.4
|
0.0
|
|
F1
|
C:WGF2001
|
4.7
|
106.8
|
1.0
|
|
CD1
|
C:ILE539
|
4.8
|
80.9
|
1.0
|
|
O
|
C:HOH2115
|
4.8
|
82.8
|
1.0
|
|
HG12
|
C:ILE539
|
4.8
|
66.7
|
0.0
|
|
HB
|
C:VAL555
|
4.9
|
58.7
|
0.0
|
|
HG
|
C:LEU624
|
4.9
|
83.5
|
0.0
|
|
Reference:
J.S.Tyhonas,
L.D.Arnold,
J.M.Cox,
A.Franovic,
E.Gardiner,
K.Grandinetti,
R.Kania,
T.Kanouni,
M.Lardy,
C.Li,
E.S.Martin,
N.Miller,
A.Mohan,
E.A.Murphy,
M.Perez,
L.Soroceanu,
N.Timple,
S.Uryu,
S.Womble,
S.W.Kaldor.
Discovery of Kin-3248, An Irreversible, Next Generation Fgfr Inhibitor For the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations. J.Med.Chem. 2024.
ISSN: ISSN 0022-2623
PubMed: 38267212
DOI: 10.1021/ACS.JMEDCHEM.3C01819
Page generated: Sat Aug 3 00:51:18 2024
|
