Fluorine in PDB 3rvl: Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R
Protein crystallography data
The structure of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R, PDB code: 3rvl
was solved by
C.A.Starbird,
R.M.Immormino,
R.E.Silversmith,
R.B.Bourret,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
25.92 /
1.55
|
|
Space group
|
P 21 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
37.630,
72.436,
107.280,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.6 /
18.2
|
Other elements in 3rvl:
The structure of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R
(pdb code 3rvl). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R, PDB code: 3rvl:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 3rvl
Go back to
Fluorine Binding Sites List in 3rvl
Fluorine binding site 1 out
of 6 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F130
b:13.1
occ:1.00
|
F1
|
A:BEF130
|
0.0
|
13.1
|
1.0
|
|
BE
|
A:BEF130
|
1.5
|
10.2
|
1.0
|
|
H
|
A:ALA88
|
2.0
|
12.5
|
1.0
|
|
HE3
|
A:LYS109
|
2.4
|
23.9
|
1.0
|
|
F3
|
A:BEF130
|
2.4
|
12.4
|
1.0
|
|
F2
|
A:BEF130
|
2.4
|
12.4
|
1.0
|
|
OD1
|
A:ASP57
|
2.5
|
11.5
|
1.0
|
|
HZ1
|
A:LYS109
|
2.6
|
15.3
|
1.0
|
|
HA
|
A:THR87
|
2.8
|
11.7
|
1.0
|
|
N
|
A:ALA88
|
2.8
|
10.4
|
1.0
|
|
O
|
A:HOH151
|
2.9
|
15.1
|
1.0
|
|
HG1
|
A:THR87
|
3.0
|
13.5
|
1.0
|
|
CE
|
A:LYS109
|
3.1
|
19.9
|
1.0
|
|
NZ
|
A:LYS109
|
3.1
|
12.8
|
1.0
|
|
HZ2
|
A:LYS109
|
3.1
|
15.3
|
1.0
|
|
HB3
|
A:ALA88
|
3.2
|
13.8
|
1.0
|
|
HB2
|
A:ALA88
|
3.3
|
13.8
|
1.0
|
|
HE2
|
A:LYS109
|
3.4
|
23.9
|
1.0
|
|
CB
|
A:ALA88
|
3.6
|
11.5
|
1.0
|
|
CA
|
A:THR87
|
3.6
|
9.8
|
1.0
|
|
CG
|
A:ASP57
|
3.6
|
10.4
|
1.0
|
|
C
|
A:THR87
|
3.7
|
11.1
|
1.0
|
|
OG1
|
A:THR87
|
3.7
|
11.2
|
1.0
|
|
CA
|
A:ALA88
|
3.8
|
10.1
|
1.0
|
|
O
|
A:HOH135
|
3.8
|
12.9
|
1.0
|
|
HZ3
|
A:LYS109
|
3.9
|
15.3
|
1.0
|
|
H
|
A:TRP58
|
3.9
|
13.3
|
1.0
|
|
O
|
A:HOH157
|
4.0
|
17.8
|
1.0
|
|
CB
|
A:THR87
|
4.2
|
9.8
|
1.0
|
|
OD2
|
A:ASP57
|
4.2
|
11.8
|
1.0
|
|
MN
|
A:MN131
|
4.2
|
15.2
|
1.0
|
|
H
|
A:ARG89
|
4.2
|
12.6
|
1.0
|
|
H
|
A:ASP59
|
4.2
|
12.7
|
1.0
|
|
CD
|
A:LYS109
|
4.3
|
30.3
|
1.0
|
|
HB
|
A:THR87
|
4.4
|
11.8
|
1.0
|
|
HD2
|
A:LYS109
|
4.4
|
36.4
|
1.0
|
|
HG3
|
A:LYS109
|
4.4
|
16.6
|
1.0
|
|
HA
|
A:ALA88
|
4.5
|
12.1
|
1.0
|
|
HB1
|
A:ALA88
|
4.5
|
13.8
|
1.0
|
|
HB2
|
A:LYS109
|
4.5
|
15.6
|
1.0
|
|
HB2
|
A:ASP59
|
4.6
|
13.2
|
1.0
|
|
HG3
|
A:ARG89
|
4.7
|
14.6
|
1.0
|
|
O
|
A:VAL86
|
4.7
|
10.8
|
1.0
|
|
HA
|
A:ASP57
|
4.7
|
9.8
|
1.0
|
|
N
|
A:ARG89
|
4.8
|
10.5
|
1.0
|
|
N
|
A:TRP58
|
4.8
|
11.1
|
1.0
|
|
N
|
A:THR87
|
4.8
|
9.8
|
1.0
|
|
C
|
A:ALA88
|
4.8
|
9.8
|
1.0
|
|
CG
|
A:LYS109
|
4.8
|
13.8
|
1.0
|
|
O
|
A:THR87
|
4.8
|
10.8
|
1.0
|
|
CB
|
A:ASP57
|
4.9
|
11.5
|
1.0
|
|
HB3
|
A:TRP58
|
4.9
|
14.5
|
1.0
|
|
N
|
A:ASP59
|
5.0
|
10.6
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 3rvl
Go back to
Fluorine Binding Sites List in 3rvl
Fluorine binding site 2 out
of 6 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F130
b:12.4
occ:1.00
|
F2
|
A:BEF130
|
0.0
|
12.4
|
1.0
|
|
BE
|
A:BEF130
|
1.4
|
10.2
|
1.0
|
|
MN
|
A:MN131
|
2.2
|
15.2
|
1.0
|
|
F3
|
A:BEF130
|
2.4
|
12.4
|
1.0
|
|
F1
|
A:BEF130
|
2.4
|
13.1
|
1.0
|
|
OD1
|
A:ASP57
|
2.6
|
11.5
|
1.0
|
|
HB2
|
A:ASP59
|
2.7
|
13.2
|
1.0
|
|
OD2
|
A:ASP57
|
2.9
|
11.8
|
1.0
|
|
H
|
A:ASP59
|
2.9
|
12.7
|
1.0
|
|
O
|
A:HOH135
|
3.0
|
12.9
|
1.0
|
|
O
|
A:HOH145
|
3.0
|
11.1
|
1.0
|
|
O
|
A:ASP59
|
3.1
|
10.3
|
1.0
|
|
CG
|
A:ASP57
|
3.1
|
10.4
|
1.0
|
|
O
|
A:HOH151
|
3.3
|
15.1
|
1.0
|
|
O
|
A:HOH157
|
3.4
|
17.8
|
1.0
|
|
N
|
A:ASP59
|
3.5
|
10.6
|
1.0
|
|
CB
|
A:ASP59
|
3.5
|
11.0
|
1.0
|
|
HZ1
|
A:LYS109
|
3.6
|
15.3
|
1.0
|
|
CA
|
A:ASP59
|
3.8
|
9.5
|
1.0
|
|
C
|
A:ASP59
|
3.8
|
10.9
|
1.0
|
|
H
|
A:TRP58
|
3.9
|
13.3
|
1.0
|
|
HB3
|
A:ASP59
|
4.0
|
13.2
|
1.0
|
|
HG1
|
A:THR87
|
4.1
|
13.5
|
1.0
|
|
H
|
A:ALA88
|
4.3
|
12.5
|
1.0
|
|
OD1
|
A:ASP13
|
4.3
|
11.7
|
1.0
|
|
NZ
|
A:LYS109
|
4.4
|
12.8
|
1.0
|
|
HZ2
|
A:LYS109
|
4.4
|
15.3
|
1.0
|
|
C
|
A:TRP58
|
4.5
|
13.1
|
1.0
|
|
N
|
A:TRP58
|
4.5
|
11.1
|
1.0
|
|
CG
|
A:ASP59
|
4.6
|
11.2
|
1.0
|
|
HE3
|
A:LYS109
|
4.6
|
23.9
|
1.0
|
|
CB
|
A:ASP57
|
4.6
|
11.5
|
1.0
|
|
HB3
|
A:TRP58
|
4.6
|
14.5
|
1.0
|
|
OD2
|
A:ASP59
|
4.6
|
12.3
|
1.0
|
|
HB3
|
A:ALA88
|
4.7
|
13.8
|
1.0
|
|
HA
|
A:ASP59
|
4.7
|
11.4
|
1.0
|
|
HA
|
A:THR87
|
4.8
|
11.7
|
1.0
|
|
HG3
|
A:MET60
|
4.9
|
10.6
|
1.0
|
|
OG1
|
A:THR87
|
4.9
|
11.2
|
1.0
|
|
HB3
|
A:ASP57
|
5.0
|
13.8
|
1.0
|
|
CA
|
A:TRP58
|
5.0
|
9.5
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 3rvl
Go back to
Fluorine Binding Sites List in 3rvl
Fluorine binding site 3 out
of 6 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F130
b:12.4
occ:1.00
|
F3
|
A:BEF130
|
0.0
|
12.4
|
1.0
|
|
BE
|
A:BEF130
|
1.4
|
10.2
|
1.0
|
|
HG1
|
A:THR87
|
1.9
|
13.5
|
1.0
|
|
H
|
A:ASP59
|
2.1
|
12.7
|
1.0
|
|
H
|
A:TRP58
|
2.3
|
13.3
|
1.0
|
|
F2
|
A:BEF130
|
2.4
|
12.4
|
1.0
|
|
F1
|
A:BEF130
|
2.4
|
13.1
|
1.0
|
|
OD1
|
A:ASP57
|
2.4
|
11.5
|
1.0
|
|
HB3
|
A:TRP58
|
2.5
|
14.5
|
1.0
|
|
OG1
|
A:THR87
|
2.7
|
11.2
|
1.0
|
|
N
|
A:ASP59
|
2.9
|
10.6
|
1.0
|
|
N
|
A:TRP58
|
3.1
|
11.1
|
1.0
|
|
CB
|
A:TRP58
|
3.3
|
12.1
|
1.0
|
|
H
|
A:ALA88
|
3.3
|
12.5
|
1.0
|
|
HA
|
A:THR87
|
3.3
|
11.7
|
1.0
|
|
HB2
|
A:ASP59
|
3.4
|
13.2
|
1.0
|
|
HB
|
A:THR87
|
3.4
|
11.8
|
1.0
|
|
CG
|
A:ASP57
|
3.4
|
10.4
|
1.0
|
|
HG3
|
A:ARG89
|
3.4
|
14.6
|
1.0
|
|
CA
|
A:TRP58
|
3.5
|
9.5
|
1.0
|
|
CB
|
A:THR87
|
3.5
|
9.8
|
1.0
|
|
C
|
A:TRP58
|
3.6
|
13.1
|
1.0
|
|
HB2
|
A:TRP58
|
3.6
|
14.5
|
1.0
|
|
O
|
A:HOH157
|
3.7
|
17.8
|
1.0
|
|
CA
|
A:THR87
|
3.9
|
9.8
|
1.0
|
|
OD2
|
A:ASP57
|
3.9
|
11.8
|
1.0
|
|
H
|
A:ARG89
|
3.9
|
12.6
|
1.0
|
|
N
|
A:ALA88
|
4.0
|
10.4
|
1.0
|
|
CA
|
A:ASP59
|
4.0
|
9.5
|
1.0
|
|
CB
|
A:ASP59
|
4.0
|
11.0
|
1.0
|
|
C
|
A:ASP57
|
4.2
|
12.0
|
1.0
|
|
HD2
|
A:ARG89
|
4.2
|
13.2
|
1.0
|
|
HA
|
A:ASP57
|
4.3
|
9.8
|
1.0
|
|
MN
|
A:MN131
|
4.3
|
15.2
|
1.0
|
|
HZ1
|
A:LYS109
|
4.3
|
15.3
|
1.0
|
|
CG
|
A:ARG89
|
4.3
|
12.1
|
1.0
|
|
HE3
|
A:LYS109
|
4.4
|
23.9
|
1.0
|
|
C
|
A:THR87
|
4.4
|
11.1
|
1.0
|
|
HB3
|
A:ALA88
|
4.4
|
13.8
|
1.0
|
|
CG
|
A:ASP59
|
4.4
|
11.2
|
1.0
|
|
OD2
|
A:ASP59
|
4.4
|
12.3
|
1.0
|
|
HA
|
A:TRP58
|
4.4
|
11.4
|
1.0
|
|
O
|
A:ASP59
|
4.5
|
10.3
|
1.0
|
|
CG
|
A:TRP58
|
4.5
|
9.3
|
1.0
|
|
CB
|
A:ASP57
|
4.5
|
11.5
|
1.0
|
|
HD3
|
A:ARG89
|
4.5
|
13.2
|
1.0
|
|
CA
|
A:ASP57
|
4.6
|
8.2
|
1.0
|
|
O
|
A:HOH151
|
4.6
|
15.1
|
1.0
|
|
CD
|
A:ARG89
|
4.6
|
11.0
|
1.0
|
|
C
|
A:ASP59
|
4.7
|
10.9
|
1.0
|
|
N
|
A:ARG89
|
4.7
|
10.5
|
1.0
|
|
HA
|
A:ASP59
|
4.7
|
11.4
|
1.0
|
|
O
|
A:TRP58
|
4.8
|
12.3
|
1.0
|
|
HB2
|
A:ARG89
|
4.8
|
13.2
|
1.0
|
|
CG2
|
A:THR87
|
4.9
|
11.0
|
1.0
|
|
HB3
|
A:ASP59
|
4.9
|
13.2
|
1.0
|
|
HG2
|
A:ARG89
|
4.9
|
14.6
|
1.0
|
|
HE2
|
A:LYS109
|
4.9
|
23.9
|
1.0
|
|
CA
|
A:ALA88
|
5.0
|
10.1
|
1.0
|
|
CE
|
A:LYS109
|
5.0
|
19.9
|
1.0
|
|
HG21
|
A:THR87
|
5.0
|
13.2
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 3rvl
Go back to
Fluorine Binding Sites List in 3rvl
Fluorine binding site 4 out
of 6 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F130
b:10.1
occ:1.00
|
F1
|
B:BEF130
|
0.0
|
10.1
|
1.0
|
|
BE
|
B:BEF130
|
1.5
|
6.3
|
1.0
|
|
H
|
B:ALA88
|
2.0
|
10.5
|
1.0
|
|
HZ2
|
B:LYS109
|
2.2
|
12.2
|
1.0
|
|
F3
|
B:BEF130
|
2.4
|
10.3
|
1.0
|
|
F2
|
B:BEF130
|
2.4
|
10.6
|
1.0
|
|
OD1
|
B:ASP57
|
2.5
|
9.8
|
1.0
|
|
HA
|
B:THR87
|
2.8
|
10.5
|
1.0
|
|
HD2
|
B:LYS109
|
2.8
|
26.4
|
1.0
|
|
O
|
B:HOH233
|
2.9
|
13.1
|
1.0
|
|
N
|
B:ALA88
|
2.9
|
8.8
|
1.0
|
|
HG1
|
B:THR87
|
2.9
|
12.3
|
1.0
|
|
NZ
|
B:LYS109
|
3.0
|
10.2
|
1.0
|
|
HB3
|
B:ALA88
|
3.2
|
11.6
|
1.0
|
|
HE3
|
B:LYS109
|
3.4
|
17.2
|
1.0
|
|
HB2
|
B:ALA88
|
3.4
|
11.6
|
1.0
|
|
HZ1
|
B:LYS109
|
3.5
|
12.2
|
1.0
|
|
CE
|
B:LYS109
|
3.5
|
14.3
|
1.0
|
|
HZ3
|
B:LYS109
|
3.6
|
12.2
|
1.0
|
|
CD
|
B:LYS109
|
3.6
|
22.0
|
1.0
|
|
CA
|
B:THR87
|
3.6
|
8.7
|
1.0
|
|
CG
|
B:ASP57
|
3.6
|
9.6
|
1.0
|
|
CB
|
B:ALA88
|
3.6
|
9.7
|
1.0
|
|
OG1
|
B:THR87
|
3.6
|
10.3
|
1.0
|
|
C
|
B:THR87
|
3.7
|
8.5
|
1.0
|
|
O
|
B:HOH136
|
3.8
|
10.2
|
1.0
|
|
CA
|
B:ALA88
|
3.8
|
10.4
|
1.0
|
|
H
|
B:TRP58
|
3.9
|
11.0
|
1.0
|
|
HD3
|
B:LYS109
|
4.0
|
26.4
|
1.0
|
|
O
|
B:HOH144
|
4.0
|
17.0
|
1.0
|
|
CB
|
B:THR87
|
4.1
|
8.5
|
1.0
|
|
OD2
|
B:ASP57
|
4.1
|
8.8
|
1.0
|
|
H
|
B:ARG89
|
4.2
|
11.2
|
1.0
|
|
MN
|
B:MN131
|
4.2
|
13.2
|
1.0
|
|
H
|
B:ASP59
|
4.2
|
11.0
|
1.0
|
|
HB
|
B:THR87
|
4.3
|
10.2
|
1.0
|
|
HE2
|
B:LYS109
|
4.5
|
17.2
|
1.0
|
|
HA
|
B:ALA88
|
4.5
|
12.5
|
1.0
|
|
HB1
|
B:ALA88
|
4.6
|
11.6
|
1.0
|
|
O
|
B:VAL86
|
4.6
|
8.9
|
1.0
|
|
HG3
|
B:ARG89
|
4.6
|
11.5
|
1.0
|
|
HB2
|
B:LYS109
|
4.7
|
12.8
|
1.0
|
|
HB2
|
B:ASP59
|
4.7
|
9.2
|
1.0
|
|
HA
|
B:ASP57
|
4.7
|
10.2
|
1.0
|
|
HG3
|
B:LYS109
|
4.7
|
14.2
|
1.0
|
|
N
|
B:ARG89
|
4.8
|
9.4
|
1.0
|
|
N
|
B:TRP58
|
4.8
|
9.1
|
1.0
|
|
CG
|
B:LYS109
|
4.8
|
11.8
|
1.0
|
|
N
|
B:THR87
|
4.8
|
8.2
|
1.0
|
|
C
|
B:ALA88
|
4.8
|
9.1
|
1.0
|
|
CB
|
B:ASP57
|
4.9
|
9.6
|
1.0
|
|
HB3
|
B:TRP58
|
4.9
|
12.9
|
1.0
|
|
O
|
B:THR87
|
4.9
|
9.1
|
1.0
|
|
O
|
B:HOH213
|
5.0
|
17.7
|
1.0
|
|
N
|
B:ASP59
|
5.0
|
9.2
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 3rvl
Go back to
Fluorine Binding Sites List in 3rvl
Fluorine binding site 5 out
of 6 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F130
b:10.6
occ:1.00
|
F2
|
B:BEF130
|
0.0
|
10.6
|
1.0
|
|
BE
|
B:BEF130
|
1.5
|
6.3
|
1.0
|
|
MN
|
B:MN131
|
2.2
|
13.2
|
1.0
|
|
F3
|
B:BEF130
|
2.4
|
10.3
|
1.0
|
|
F1
|
B:BEF130
|
2.4
|
10.1
|
1.0
|
|
OD1
|
B:ASP57
|
2.6
|
9.8
|
1.0
|
|
HB2
|
B:ASP59
|
2.6
|
9.2
|
1.0
|
|
H
|
B:ASP59
|
2.8
|
11.0
|
1.0
|
|
OD2
|
B:ASP57
|
2.9
|
8.8
|
1.0
|
|
O
|
B:HOH136
|
3.0
|
10.2
|
1.0
|
|
O
|
B:HOH143
|
3.1
|
9.6
|
1.0
|
|
CG
|
B:ASP57
|
3.1
|
9.6
|
1.0
|
|
O
|
B:ASP59
|
3.1
|
10.4
|
1.0
|
|
O
|
B:HOH233
|
3.3
|
13.1
|
1.0
|
|
O
|
B:HOH144
|
3.3
|
17.0
|
1.0
|
|
N
|
B:ASP59
|
3.4
|
9.2
|
1.0
|
|
CB
|
B:ASP59
|
3.5
|
7.7
|
1.0
|
|
HZ2
|
B:LYS109
|
3.6
|
12.2
|
1.0
|
|
CA
|
B:ASP59
|
3.7
|
9.8
|
1.0
|
|
C
|
B:ASP59
|
3.8
|
9.5
|
1.0
|
|
H
|
B:TRP58
|
3.8
|
11.0
|
1.0
|
|
HB3
|
B:ASP59
|
4.0
|
9.2
|
1.0
|
|
HG1
|
B:THR87
|
4.1
|
12.3
|
1.0
|
|
OD1
|
B:ASP13
|
4.3
|
10.4
|
1.0
|
|
H
|
B:ALA88
|
4.3
|
10.5
|
1.0
|
|
NZ
|
B:LYS109
|
4.4
|
10.2
|
1.0
|
|
HZ1
|
B:LYS109
|
4.5
|
12.2
|
1.0
|
|
N
|
B:TRP58
|
4.5
|
9.1
|
1.0
|
|
C
|
B:TRP58
|
4.5
|
12.0
|
1.0
|
|
CG
|
B:ASP59
|
4.5
|
12.7
|
1.0
|
|
O
|
B:HOH213
|
4.6
|
17.7
|
1.0
|
|
OD2
|
B:ASP59
|
4.6
|
12.5
|
1.0
|
|
HB3
|
B:TRP58
|
4.6
|
12.9
|
1.0
|
|
CB
|
B:ASP57
|
4.6
|
9.6
|
1.0
|
|
HB3
|
B:ALA88
|
4.7
|
11.6
|
1.0
|
|
HA
|
B:ASP59
|
4.7
|
11.7
|
1.0
|
|
HZ3
|
B:LYS109
|
4.8
|
12.2
|
1.0
|
|
HA
|
B:THR87
|
4.8
|
10.5
|
1.0
|
|
OG1
|
B:THR87
|
4.9
|
10.3
|
1.0
|
|
HG3
|
B:MET60
|
4.9
|
10.7
|
1.0
|
|
CA
|
B:TRP58
|
5.0
|
8.8
|
1.0
|
|
HG3
|
B:ARG89
|
5.0
|
11.5
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 3rvl
Go back to
Fluorine Binding Sites List in 3rvl
Fluorine binding site 6 out
of 6 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89R within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F130
b:10.3
occ:1.00
|
F3
|
B:BEF130
|
0.0
|
10.3
|
1.0
|
|
BE
|
B:BEF130
|
1.4
|
6.3
|
1.0
|
|
HG1
|
B:THR87
|
1.9
|
12.3
|
1.0
|
|
H
|
B:ASP59
|
2.1
|
11.0
|
1.0
|
|
H
|
B:TRP58
|
2.3
|
11.0
|
1.0
|
|
F2
|
B:BEF130
|
2.4
|
10.6
|
1.0
|
|
F1
|
B:BEF130
|
2.4
|
10.1
|
1.0
|
|
OD1
|
B:ASP57
|
2.5
|
9.8
|
1.0
|
|
HB3
|
B:TRP58
|
2.5
|
12.9
|
1.0
|
|
OG1
|
B:THR87
|
2.6
|
10.3
|
1.0
|
|
N
|
B:ASP59
|
2.9
|
9.2
|
1.0
|
|
N
|
B:TRP58
|
3.1
|
9.1
|
1.0
|
|
CB
|
B:TRP58
|
3.3
|
10.7
|
1.0
|
|
HG3
|
B:ARG89
|
3.3
|
11.5
|
1.0
|
|
HB
|
B:THR87
|
3.3
|
10.2
|
1.0
|
|
H
|
B:ALA88
|
3.4
|
10.5
|
1.0
|
|
HB2
|
B:ASP59
|
3.4
|
9.2
|
1.0
|
|
HA
|
B:THR87
|
3.4
|
10.5
|
1.0
|
|
CG
|
B:ASP57
|
3.4
|
9.6
|
1.0
|
|
CA
|
B:TRP58
|
3.4
|
8.8
|
1.0
|
|
CB
|
B:THR87
|
3.5
|
8.5
|
1.0
|
|
HB2
|
B:TRP58
|
3.6
|
12.9
|
1.0
|
|
C
|
B:TRP58
|
3.6
|
12.0
|
1.0
|
|
O
|
B:HOH144
|
3.7
|
17.0
|
1.0
|
|
H
|
B:ARG89
|
3.9
|
11.2
|
1.0
|
|
CA
|
B:THR87
|
3.9
|
8.7
|
1.0
|
|
OD2
|
B:ASP57
|
3.9
|
8.8
|
1.0
|
|
CA
|
B:ASP59
|
4.0
|
9.8
|
1.0
|
|
CB
|
B:ASP59
|
4.0
|
7.7
|
1.0
|
|
N
|
B:ALA88
|
4.0
|
8.8
|
1.0
|
|
HD2
|
B:ARG89
|
4.2
|
13.6
|
1.0
|
|
CG
|
B:ARG89
|
4.2
|
9.6
|
1.0
|
|
C
|
B:ASP57
|
4.2
|
8.7
|
1.0
|
|
HZ2
|
B:LYS109
|
4.3
|
12.2
|
1.0
|
|
HA
|
B:ASP57
|
4.3
|
10.2
|
1.0
|
|
MN
|
B:MN131
|
4.3
|
13.2
|
1.0
|
|
CG
|
B:ASP59
|
4.4
|
12.7
|
1.0
|
|
OD2
|
B:ASP59
|
4.4
|
12.5
|
1.0
|
|
HA
|
B:TRP58
|
4.4
|
10.5
|
1.0
|
|
C
|
B:THR87
|
4.5
|
8.5
|
1.0
|
|
HB3
|
B:ALA88
|
4.5
|
11.6
|
1.0
|
|
HD3
|
B:ARG89
|
4.5
|
13.6
|
1.0
|
|
CG
|
B:TRP58
|
4.5
|
8.5
|
1.0
|
|
O
|
B:ASP59
|
4.5
|
10.4
|
1.0
|
|
CD
|
B:ARG89
|
4.6
|
11.4
|
1.0
|
|
CA
|
B:ASP57
|
4.6
|
8.5
|
1.0
|
|
CB
|
B:ASP57
|
4.6
|
9.6
|
1.0
|
|
O
|
B:HOH233
|
4.6
|
13.1
|
1.0
|
|
N
|
B:ARG89
|
4.7
|
9.4
|
1.0
|
|
C
|
B:ASP59
|
4.7
|
9.5
|
1.0
|
|
HA
|
B:ASP59
|
4.7
|
11.7
|
1.0
|
|
HB2
|
B:ARG89
|
4.7
|
12.0
|
1.0
|
|
O
|
B:TRP58
|
4.8
|
12.3
|
1.0
|
|
HG2
|
B:ARG89
|
4.8
|
11.5
|
1.0
|
|
CG2
|
B:THR87
|
4.8
|
9.7
|
1.0
|
|
HB3
|
B:ASP59
|
4.9
|
9.2
|
1.0
|
|
HG21
|
B:THR87
|
5.0
|
11.7
|
1.0
|
|
HE3
|
B:LYS109
|
5.0
|
17.2
|
1.0
|
|
O
|
B:VAL86
|
5.0
|
8.9
|
1.0
|
|
HD2
|
B:LYS109
|
5.0
|
26.4
|
1.0
|
|
O
|
B:HOH136
|
5.0
|
10.2
|
1.0
|
|
Reference:
R.M.Immormino,
C.A.Starbird,
R.E.Silversmith,
R.B.Bourret.
Probing Mechanistic Similarities Between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases. Biochemistry V. 54 3514 2015.
ISSN: ISSN 0006-2960
PubMed: 25928369
DOI: 10.1021/ACS.BIOCHEM.5B00286
Page generated: Wed Jul 31 22:23:34 2024
|
