Fluorine in PDB 7n27: Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
Protein crystallography data
The structure of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261, PDB code: 7n27
was solved by
S.Beldar,
A.Dong,
P.Loppnau,
J.Min,
C.H.Arrowsmith,
A.M.Edwards,
Structuralgenomics Consortium (Sgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.64 /
1.85
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
62.971,
76.386,
80.628,
90,
90,
90
|
|
R / Rfree (%)
|
22.5 /
26.2
|
Other elements in 7n27:
The structure of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
30;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
(pdb code 7n27). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 30 binding sites of Fluorine where determined in the
Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261, PDB code: 7n27:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 1 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F1001
b:25.8
occ:1.00
|
FD1
|
G:PF51001
|
0.0
|
25.8
|
1.0
|
|
CD1
|
G:PF51001
|
1.3
|
27.0
|
1.0
|
|
CE1
|
G:PF51001
|
2.2
|
30.5
|
1.0
|
|
CG
|
G:PF51001
|
2.4
|
25.6
|
1.0
|
|
FE1
|
G:PF51001
|
2.6
|
29.2
|
1.0
|
|
CB
|
G:PF51001
|
2.9
|
22.8
|
1.0
|
|
N
|
G:PF51001
|
3.0
|
21.4
|
1.0
|
|
C5
|
G:MN11000
|
3.2
|
26.5
|
1.0
|
|
CE2
|
J:PHE1003
|
3.2
|
22.2
|
1.0
|
|
O
|
A:VAL100
|
3.3
|
20.3
|
1.0
|
|
C
|
G:MN11000
|
3.5
|
23.0
|
1.0
|
|
CA
|
G:PF51001
|
3.5
|
22.2
|
1.0
|
|
CZ
|
G:PF51001
|
3.5
|
33.9
|
1.0
|
|
CD2
|
G:PF51001
|
3.6
|
26.7
|
1.0
|
|
C4
|
G:MN11000
|
3.7
|
25.7
|
1.0
|
|
CZ
|
J:PHE1003
|
3.8
|
23.8
|
1.0
|
|
CD2
|
J:PHE1003
|
3.8
|
22.1
|
1.0
|
|
CG1
|
A:VAL100
|
4.0
|
23.8
|
1.0
|
|
CE2
|
G:PF51001
|
4.0
|
32.1
|
1.0
|
|
C
|
A:VAL100
|
4.1
|
22.1
|
1.0
|
|
O
|
D:GLN97
|
4.1
|
22.1
|
0.5
|
|
O1
|
G:MN11000
|
4.3
|
21.6
|
1.0
|
|
CB
|
A:VAL100
|
4.3
|
22.3
|
1.0
|
|
CB
|
A:ASN101
|
4.3
|
26.1
|
1.0
|
|
C6
|
G:MN11000
|
4.4
|
27.5
|
1.0
|
|
O
|
D:GLN97
|
4.4
|
21.6
|
0.5
|
|
FZ
|
G:PF51001
|
4.5
|
47.7
|
1.0
|
|
C
|
G:PF51001
|
4.5
|
19.9
|
1.0
|
|
ND2
|
A:ASN101
|
4.6
|
28.0
|
1.0
|
|
O
|
G:PF51001
|
4.7
|
21.9
|
1.0
|
|
CG
|
J:PHE1003
|
4.7
|
23.1
|
1.0
|
|
CE1
|
J:PHE1003
|
4.7
|
24.4
|
1.0
|
|
FD2
|
G:PF51001
|
4.7
|
26.6
|
1.0
|
|
CG
|
A:ASN101
|
4.8
|
27.2
|
1.0
|
|
CA
|
A:VAL100
|
4.8
|
21.8
|
1.0
|
|
N
|
A:ASN101
|
4.9
|
23.2
|
1.0
|
|
Fluorine binding site 2 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 2 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F1001
b:26.6
occ:1.00
|
FD2
|
G:PF51001
|
0.0
|
26.6
|
1.0
|
|
CD2
|
G:PF51001
|
1.3
|
26.7
|
1.0
|
|
CE2
|
G:PF51001
|
2.3
|
32.1
|
1.0
|
|
CG
|
G:PF51001
|
2.4
|
25.6
|
1.0
|
|
FE2
|
G:PF51001
|
2.6
|
36.0
|
1.0
|
|
CB
|
G:PF51001
|
2.8
|
22.8
|
1.0
|
|
CG
|
D:GLU58
|
3.1
|
41.5
|
1.0
|
|
C
|
A:TYR61
|
3.2
|
23.0
|
1.0
|
|
N
|
A:GLU62
|
3.2
|
22.3
|
1.0
|
|
O
|
A:TYR61
|
3.4
|
22.1
|
1.0
|
|
CA
|
A:GLU62
|
3.4
|
24.0
|
1.0
|
|
CB
|
D:GLU58
|
3.4
|
38.5
|
1.0
|
|
CA
|
G:PF51001
|
3.5
|
22.2
|
1.0
|
|
CZ
|
G:PF51001
|
3.6
|
33.9
|
1.0
|
|
CD1
|
G:PF51001
|
3.6
|
27.0
|
1.0
|
|
CA
|
A:TYR61
|
3.8
|
25.6
|
1.0
|
|
N
|
A:TYR61
|
3.9
|
25.1
|
1.0
|
|
CB
|
A:GLU62
|
4.0
|
26.9
|
1.0
|
|
CE1
|
G:PF51001
|
4.1
|
30.5
|
1.0
|
|
O1
|
G:MN11000
|
4.3
|
21.6
|
1.0
|
|
C
|
A:LEU60
|
4.3
|
28.4
|
1.0
|
|
CE1
|
J:PHE1003
|
4.4
|
24.4
|
1.0
|
|
CD
|
D:GLU58
|
4.4
|
42.7
|
1.0
|
|
CB
|
A:LEU60
|
4.5
|
33.2
|
1.0
|
|
N
|
G:PF51001
|
4.5
|
21.4
|
1.0
|
|
CG
|
A:GLU62
|
4.5
|
30.3
|
1.0
|
|
FZ
|
G:PF51001
|
4.5
|
47.7
|
1.0
|
|
O
|
A:LEU60
|
4.6
|
24.6
|
1.0
|
|
O
|
A:HOH308
|
4.6
|
33.7
|
1.0
|
|
CZ
|
J:PHE1003
|
4.7
|
23.8
|
1.0
|
|
C
|
A:GLU62
|
4.7
|
23.1
|
1.0
|
|
C
|
G:PF51001
|
4.7
|
19.9
|
1.0
|
|
C
|
G:MN11000
|
4.7
|
23.0
|
1.0
|
|
FD1
|
G:PF51001
|
4.7
|
25.8
|
1.0
|
|
CD1
|
J:PHE1003
|
4.8
|
24.0
|
1.0
|
|
N
|
G:ALA1002
|
4.8
|
19.8
|
1.0
|
|
CA
|
D:GLU58
|
4.9
|
32.9
|
1.0
|
|
OE2
|
D:GLU58
|
4.9
|
39.4
|
1.0
|
|
Fluorine binding site 3 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 3 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F1001
b:29.2
occ:1.00
|
FE1
|
G:PF51001
|
0.0
|
29.2
|
1.0
|
|
CE1
|
G:PF51001
|
1.3
|
30.5
|
1.0
|
|
CZ
|
G:PF51001
|
2.3
|
33.9
|
1.0
|
|
CD1
|
G:PF51001
|
2.4
|
27.0
|
1.0
|
|
FZ
|
G:PF51001
|
2.6
|
47.7
|
1.0
|
|
FD1
|
G:PF51001
|
2.6
|
25.8
|
1.0
|
|
CD2
|
J:PHE1003
|
3.1
|
22.1
|
1.0
|
|
O
|
D:GLN97
|
3.2
|
22.1
|
0.5
|
|
CD2
|
D:HIS98
|
3.4
|
27.3
|
1.0
|
|
C5
|
G:MN11000
|
3.4
|
26.5
|
1.0
|
|
CE2
|
G:PF51001
|
3.6
|
32.1
|
1.0
|
|
CE2
|
J:PHE1003
|
3.6
|
22.2
|
1.0
|
|
CG
|
G:PF51001
|
3.6
|
25.6
|
1.0
|
|
CA
|
D:HIS98
|
3.6
|
20.6
|
1.0
|
|
O
|
D:GLN97
|
3.7
|
21.6
|
0.5
|
|
CG
|
J:PHE1003
|
3.7
|
23.1
|
1.0
|
|
CG
|
D:HIS98
|
4.0
|
26.0
|
1.0
|
|
NE2
|
D:HIS98
|
4.0
|
28.1
|
1.0
|
|
C
|
D:GLN97
|
4.0
|
22.4
|
0.5
|
|
CD2
|
G:PF51001
|
4.1
|
26.7
|
1.0
|
|
CB
|
J:PHE1003
|
4.1
|
23.0
|
1.0
|
|
C
|
D:GLN97
|
4.2
|
22.8
|
0.5
|
|
C6
|
G:MN11000
|
4.2
|
27.5
|
1.0
|
|
N
|
D:HIS98
|
4.2
|
22.1
|
1.0
|
|
CB
|
D:HIS98
|
4.4
|
22.9
|
1.0
|
|
CZ
|
J:PHE1003
|
4.5
|
23.8
|
1.0
|
|
FE2
|
G:PF51001
|
4.5
|
36.0
|
1.0
|
|
C
|
D:HIS98
|
4.6
|
20.8
|
1.0
|
|
CD1
|
J:PHE1003
|
4.6
|
24.0
|
1.0
|
|
O
|
D:HIS98
|
4.6
|
20.3
|
1.0
|
|
C4
|
G:MN11000
|
4.7
|
25.7
|
1.0
|
|
C
|
G:MN11000
|
4.7
|
23.0
|
1.0
|
|
ND1
|
D:HIS98
|
4.8
|
30.4
|
1.0
|
|
CB
|
G:PF51001
|
4.8
|
22.8
|
1.0
|
|
CE1
|
D:HIS98
|
4.8
|
29.9
|
1.0
|
|
N
|
G:PF51001
|
4.9
|
21.4
|
1.0
|
|
CE1
|
J:PHE1003
|
5.0
|
24.4
|
1.0
|
|
Fluorine binding site 4 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 4 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F1001
b:36.0
occ:1.00
|
FE2
|
G:PF51001
|
0.0
|
36.0
|
1.0
|
|
CE2
|
G:PF51001
|
1.2
|
32.1
|
1.0
|
|
CZ
|
G:PF51001
|
2.3
|
33.9
|
1.0
|
|
CD2
|
G:PF51001
|
2.3
|
26.7
|
1.0
|
|
FZ
|
G:PF51001
|
2.6
|
47.7
|
1.0
|
|
FD2
|
G:PF51001
|
2.6
|
26.6
|
1.0
|
|
CG
|
D:GLU58
|
3.1
|
41.5
|
1.0
|
|
CE1
|
G:PF51001
|
3.5
|
30.5
|
1.0
|
|
OE2
|
D:GLU58
|
3.5
|
39.4
|
1.0
|
|
CG
|
G:PF51001
|
3.5
|
25.6
|
1.0
|
|
CB
|
D:GLU58
|
3.6
|
38.5
|
1.0
|
|
CD
|
D:GLU58
|
3.6
|
42.7
|
1.0
|
|
CD1
|
G:PF51001
|
4.0
|
27.0
|
1.0
|
|
CG
|
A:GLU62
|
4.0
|
30.3
|
1.0
|
|
CB
|
A:GLU62
|
4.1
|
26.9
|
1.0
|
|
CD1
|
J:PHE1003
|
4.2
|
24.0
|
1.0
|
|
OE1
|
A:GLU62
|
4.2
|
36.7
|
1.0
|
|
CD
|
A:GLU62
|
4.3
|
36.2
|
1.0
|
|
CA
|
A:GLU62
|
4.4
|
24.0
|
1.0
|
|
CG
|
J:PHE1003
|
4.5
|
23.1
|
1.0
|
|
FE1
|
G:PF51001
|
4.5
|
29.2
|
1.0
|
|
CE1
|
J:PHE1003
|
4.6
|
24.4
|
1.0
|
|
OE1
|
D:GLU58
|
4.6
|
49.9
|
1.0
|
|
N
|
A:GLU62
|
4.7
|
22.3
|
1.0
|
|
CB
|
G:PF51001
|
4.7
|
22.8
|
1.0
|
|
CB
|
J:PHE1003
|
4.8
|
23.0
|
1.0
|
|
O1
|
G:MN11000
|
5.0
|
21.6
|
1.0
|
|
Fluorine binding site 5 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 5 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F1001
b:47.7
occ:1.00
|
FZ
|
G:PF51001
|
0.0
|
47.7
|
1.0
|
|
CZ
|
G:PF51001
|
1.2
|
33.9
|
1.0
|
|
CE1
|
G:PF51001
|
2.2
|
30.5
|
1.0
|
|
CE2
|
G:PF51001
|
2.3
|
32.1
|
1.0
|
|
FE1
|
G:PF51001
|
2.6
|
29.2
|
1.0
|
|
FE2
|
G:PF51001
|
2.6
|
36.0
|
1.0
|
|
NE2
|
D:HIS98
|
3.2
|
28.1
|
1.0
|
|
CB
|
J:PHE1003
|
3.5
|
23.0
|
1.0
|
|
CD1
|
G:PF51001
|
3.5
|
27.0
|
1.0
|
|
CD2
|
G:PF51001
|
3.5
|
26.7
|
1.0
|
|
CD2
|
D:HIS98
|
3.5
|
27.3
|
1.0
|
|
CG
|
J:PHE1003
|
3.6
|
23.1
|
1.0
|
|
CE1
|
D:HIS98
|
3.7
|
29.9
|
1.0
|
|
CD2
|
J:PHE1003
|
3.9
|
22.1
|
1.0
|
|
CG
|
G:PF51001
|
4.0
|
25.6
|
1.0
|
|
CG
|
D:HIS98
|
4.1
|
26.0
|
1.0
|
|
CD1
|
J:PHE1003
|
4.1
|
24.0
|
1.0
|
|
ND1
|
D:HIS98
|
4.2
|
30.4
|
1.0
|
|
FD1
|
G:PF51001
|
4.5
|
25.8
|
1.0
|
|
FD2
|
G:PF51001
|
4.5
|
26.6
|
1.0
|
|
CE2
|
J:PHE1003
|
4.7
|
22.2
|
1.0
|
|
C5
|
G:MN11000
|
4.8
|
26.5
|
1.0
|
|
CE1
|
J:PHE1003
|
4.9
|
24.4
|
1.0
|
|
CA
|
J:PHE1003
|
5.0
|
23.2
|
1.0
|
|
Fluorine binding site 6 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 6 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F1001
b:29.5
occ:1.00
|
FD1
|
H:PF51001
|
0.0
|
29.5
|
1.0
|
|
CD1
|
H:PF51001
|
1.3
|
28.8
|
1.0
|
|
CE1
|
H:PF51001
|
2.2
|
32.5
|
1.0
|
|
CG
|
H:PF51001
|
2.3
|
27.3
|
1.0
|
|
FE1
|
H:PF51001
|
2.7
|
33.0
|
1.0
|
|
CB
|
H:PF51001
|
2.8
|
23.0
|
1.0
|
|
N
|
H:PF51001
|
2.9
|
20.1
|
1.0
|
|
CE2
|
I:PHE1003
|
3.2
|
29.1
|
1.0
|
|
O
|
B:VAL100
|
3.3
|
18.9
|
1.0
|
|
CA
|
H:PF51001
|
3.4
|
21.4
|
1.0
|
|
C
|
H:MN11000
|
3.5
|
21.4
|
1.0
|
|
CZ
|
H:PF51001
|
3.5
|
34.6
|
1.0
|
|
C3
|
H:MN11000
|
3.5
|
25.4
|
1.0
|
|
CD2
|
H:PF51001
|
3.6
|
31.0
|
1.0
|
|
CZ
|
I:PHE1003
|
3.8
|
31.1
|
1.0
|
|
CD2
|
I:PHE1003
|
3.8
|
28.9
|
1.0
|
|
C4
|
H:MN11000
|
3.8
|
23.3
|
1.0
|
|
CG1
|
B:VAL100
|
4.0
|
23.2
|
1.0
|
|
CE2
|
H:PF51001
|
4.0
|
33.7
|
1.0
|
|
O
|
C:GLN97
|
4.2
|
27.7
|
1.0
|
|
C
|
B:VAL100
|
4.2
|
20.6
|
1.0
|
|
O1
|
H:MN11000
|
4.2
|
23.2
|
1.0
|
|
CB
|
B:ASN101
|
4.3
|
22.9
|
1.0
|
|
CB
|
B:VAL100
|
4.4
|
22.3
|
1.0
|
|
FZ
|
H:PF51001
|
4.4
|
42.2
|
1.0
|
|
C
|
H:PF51001
|
4.5
|
21.3
|
1.0
|
|
C2
|
H:MN11000
|
4.5
|
25.6
|
1.0
|
|
ND2
|
B:ASN101
|
4.6
|
25.7
|
1.0
|
|
O
|
H:PF51001
|
4.6
|
21.9
|
1.0
|
|
CE1
|
I:PHE1003
|
4.7
|
29.1
|
1.0
|
|
FD2
|
H:PF51001
|
4.7
|
32.6
|
1.0
|
|
CG
|
I:PHE1003
|
4.7
|
31.4
|
1.0
|
|
CG
|
B:ASN101
|
4.8
|
26.0
|
1.0
|
|
CA
|
B:VAL100
|
4.9
|
20.9
|
1.0
|
|
N
|
B:ASN101
|
4.9
|
21.2
|
1.0
|
|
Fluorine binding site 7 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 7 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F1001
b:32.6
occ:1.00
|
FD2
|
H:PF51001
|
0.0
|
32.6
|
1.0
|
|
CD2
|
H:PF51001
|
1.3
|
31.0
|
1.0
|
|
CE2
|
H:PF51001
|
2.3
|
33.7
|
1.0
|
|
CG
|
H:PF51001
|
2.4
|
27.3
|
1.0
|
|
FE2
|
H:PF51001
|
2.7
|
39.9
|
1.0
|
|
CB
|
H:PF51001
|
2.8
|
23.0
|
1.0
|
|
C
|
B:TYR61
|
3.0
|
23.9
|
1.0
|
|
N
|
B:GLU62
|
3.1
|
24.4
|
1.0
|
|
O
|
B:TYR61
|
3.1
|
23.5
|
1.0
|
|
CA
|
B:GLU62
|
3.3
|
25.2
|
1.0
|
|
CA
|
H:PF51001
|
3.5
|
21.4
|
1.0
|
|
CZ
|
H:PF51001
|
3.6
|
34.6
|
1.0
|
|
CD1
|
H:PF51001
|
3.7
|
28.8
|
1.0
|
|
CA
|
B:TYR61
|
3.7
|
24.9
|
1.0
|
|
N
|
B:TYR61
|
3.9
|
24.9
|
1.0
|
|
CB
|
B:GLU62
|
3.9
|
28.6
|
1.0
|
|
CB
|
C:GLU58
|
4.0
|
46.2
|
1.0
|
|
CE1
|
H:PF51001
|
4.1
|
32.5
|
1.0
|
|
CG
|
C:GLU58
|
4.2
|
45.9
|
1.0
|
|
C
|
B:LEU60
|
4.2
|
30.1
|
1.0
|
|
O1
|
H:MN11000
|
4.2
|
23.2
|
1.0
|
|
CE1
|
I:PHE1003
|
4.3
|
29.1
|
1.0
|
|
CB
|
B:LEU60
|
4.4
|
33.8
|
1.0
|
|
CG
|
B:GLU62
|
4.5
|
34.3
|
1.0
|
|
N
|
H:PF51001
|
4.5
|
20.1
|
1.0
|
|
O
|
B:LEU60
|
4.5
|
31.9
|
1.0
|
|
FZ
|
H:PF51001
|
4.5
|
42.2
|
1.0
|
|
C
|
B:GLU62
|
4.7
|
23.4
|
1.0
|
|
CZ
|
I:PHE1003
|
4.7
|
31.1
|
1.0
|
|
C
|
H:PF51001
|
4.7
|
21.3
|
1.0
|
|
N
|
H:ALA1002
|
4.7
|
19.2
|
1.0
|
|
FD1
|
H:PF51001
|
4.7
|
29.5
|
1.0
|
|
C
|
H:MN11000
|
4.7
|
21.4
|
1.0
|
|
CD1
|
I:PHE1003
|
4.8
|
29.8
|
1.0
|
|
O
|
B:HOH212
|
4.8
|
31.3
|
1.0
|
|
CA
|
B:LEU60
|
4.9
|
31.9
|
1.0
|
|
Fluorine binding site 8 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 8 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F1001
b:33.0
occ:1.00
|
FE1
|
H:PF51001
|
0.0
|
33.0
|
1.0
|
|
CE1
|
H:PF51001
|
1.4
|
32.5
|
1.0
|
|
CZ
|
H:PF51001
|
2.4
|
34.6
|
1.0
|
|
CD1
|
H:PF51001
|
2.4
|
28.8
|
1.0
|
|
FZ
|
H:PF51001
|
2.6
|
42.2
|
1.0
|
|
FD1
|
H:PF51001
|
2.7
|
29.5
|
1.0
|
|
O
|
C:GLN97
|
3.2
|
27.7
|
1.0
|
|
CD2
|
C:HIS98
|
3.3
|
36.6
|
1.0
|
|
CD2
|
I:PHE1003
|
3.3
|
28.9
|
1.0
|
|
C3
|
H:MN11000
|
3.6
|
25.4
|
1.0
|
|
CA
|
C:HIS98
|
3.6
|
27.5
|
1.0
|
|
CE2
|
H:PF51001
|
3.6
|
33.7
|
1.0
|
|
CG
|
H:PF51001
|
3.7
|
27.3
|
1.0
|
|
CE2
|
I:PHE1003
|
3.8
|
29.1
|
1.0
|
|
C
|
C:GLN97
|
3.9
|
28.1
|
1.0
|
|
CG
|
C:HIS98
|
3.9
|
33.4
|
1.0
|
|
CG
|
I:PHE1003
|
4.0
|
31.4
|
1.0
|
|
NE2
|
C:HIS98
|
4.0
|
38.0
|
1.0
|
|
N
|
C:HIS98
|
4.0
|
26.9
|
1.0
|
|
CD2
|
H:PF51001
|
4.2
|
31.0
|
1.0
|
|
C2
|
H:MN11000
|
4.2
|
25.6
|
1.0
|
|
CB
|
I:PHE1003
|
4.3
|
30.5
|
1.0
|
|
CB
|
C:HIS98
|
4.3
|
31.0
|
1.0
|
|
C
|
C:HIS98
|
4.5
|
27.4
|
1.0
|
|
FE2
|
H:PF51001
|
4.6
|
39.9
|
1.0
|
|
O
|
C:HIS98
|
4.7
|
23.1
|
1.0
|
|
CZ
|
I:PHE1003
|
4.7
|
31.1
|
1.0
|
|
C4
|
H:MN11000
|
4.7
|
23.3
|
1.0
|
|
C
|
H:MN11000
|
4.8
|
21.4
|
1.0
|
|
CD1
|
I:PHE1003
|
4.8
|
29.8
|
1.0
|
|
CB
|
H:PF51001
|
4.9
|
23.0
|
1.0
|
|
ND1
|
C:HIS98
|
4.9
|
37.6
|
1.0
|
|
CE1
|
C:HIS98
|
4.9
|
40.4
|
1.0
|
|
N
|
H:PF51001
|
4.9
|
20.1
|
1.0
|
|
Fluorine binding site 9 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 9 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F1001
b:39.9
occ:1.00
|
FE2
|
H:PF51001
|
0.0
|
39.9
|
1.0
|
|
CE2
|
H:PF51001
|
1.3
|
33.7
|
1.0
|
|
CZ
|
H:PF51001
|
2.3
|
34.6
|
1.0
|
|
CD2
|
H:PF51001
|
2.3
|
31.0
|
1.0
|
|
FZ
|
H:PF51001
|
2.5
|
42.2
|
1.0
|
|
FD2
|
H:PF51001
|
2.7
|
32.6
|
1.0
|
|
CG
|
C:GLU58
|
3.3
|
45.9
|
1.0
|
|
CE1
|
H:PF51001
|
3.5
|
32.5
|
1.0
|
|
CG
|
H:PF51001
|
3.6
|
27.3
|
1.0
|
|
CB
|
C:GLU58
|
3.7
|
46.2
|
1.0
|
|
CG
|
B:GLU62
|
3.9
|
34.3
|
1.0
|
|
CB
|
B:GLU62
|
3.9
|
28.6
|
1.0
|
|
CD1
|
H:PF51001
|
4.0
|
28.8
|
1.0
|
|
CD
|
C:GLU58
|
4.1
|
44.7
|
1.0
|
|
OE1
|
B:GLU62
|
4.1
|
41.1
|
1.0
|
|
CD
|
B:GLU62
|
4.2
|
38.8
|
1.0
|
|
CA
|
B:GLU62
|
4.3
|
25.2
|
1.0
|
|
CD1
|
I:PHE1003
|
4.3
|
29.8
|
1.0
|
|
N
|
B:GLU62
|
4.6
|
24.4
|
1.0
|
|
FE1
|
H:PF51001
|
4.6
|
33.0
|
1.0
|
|
CG
|
I:PHE1003
|
4.7
|
31.4
|
1.0
|
|
O
|
B:HOH209
|
4.7
|
41.4
|
1.0
|
|
CE1
|
I:PHE1003
|
4.7
|
29.1
|
1.0
|
|
CB
|
H:PF51001
|
4.7
|
23.0
|
1.0
|
|
CB
|
I:PHE1003
|
4.9
|
30.5
|
1.0
|
|
O1
|
H:MN11000
|
5.0
|
23.2
|
1.0
|
|
Fluorine binding site 10 out
of 30 in 7n27
Go back to
Fluorine Binding Sites List in 7n27
Fluorine binding site 10 out
of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F1001
b:42.2
occ:1.00
|
FZ
|
H:PF51001
|
0.0
|
42.2
|
1.0
|
|
CZ
|
H:PF51001
|
1.2
|
34.6
|
1.0
|
|
CE2
|
H:PF51001
|
2.2
|
33.7
|
1.0
|
|
CE1
|
H:PF51001
|
2.2
|
32.5
|
1.0
|
|
FE2
|
H:PF51001
|
2.5
|
39.9
|
1.0
|
|
FE1
|
H:PF51001
|
2.6
|
33.0
|
1.0
|
|
NE2
|
C:HIS98
|
3.4
|
38.0
|
1.0
|
|
CD1
|
H:PF51001
|
3.4
|
28.8
|
1.0
|
|
CD2
|
H:PF51001
|
3.4
|
31.0
|
1.0
|
|
CD2
|
C:HIS98
|
3.5
|
36.6
|
1.0
|
|
CB
|
I:PHE1003
|
3.7
|
30.5
|
1.0
|
|
CG
|
I:PHE1003
|
3.8
|
31.4
|
1.0
|
|
CG
|
H:PF51001
|
3.9
|
27.3
|
1.0
|
|
CE1
|
C:HIS98
|
4.0
|
40.4
|
1.0
|
|
CD2
|
I:PHE1003
|
4.1
|
28.9
|
1.0
|
|
CG
|
C:HIS98
|
4.2
|
33.4
|
1.0
|
|
CD1
|
I:PHE1003
|
4.3
|
29.8
|
1.0
|
|
ND1
|
C:HIS98
|
4.4
|
37.6
|
1.0
|
|
FD1
|
H:PF51001
|
4.4
|
29.5
|
1.0
|
|
FD2
|
H:PF51001
|
4.5
|
32.6
|
1.0
|
|
C3
|
H:MN11000
|
4.8
|
25.4
|
1.0
|
|
CE2
|
I:PHE1003
|
4.9
|
29.1
|
1.0
|
|
CD
|
B:GLU62
|
5.0
|
38.8
|
1.0
|
|
CG
|
B:GLU62
|
5.0
|
34.3
|
1.0
|
|
Reference:
S.Beldar,
A.Dong,
P.Loppnau,
J.Min,
C.H.Arrowsmith,
A.M.Edwards,
Structural Genomics Consortium (Sgc).
Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 To Be Published.
Page generated: Fri Aug 2 09:56:37 2024
|
