Fluorine in PDB 5bq5: Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
Protein crystallography data
The structure of Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3, PDB code: 5bq5
was solved by
E.Arias-Palomo,
J.M.Berger,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
43.80 /
2.10
|
|
Space group
|
P 61
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
133.806,
133.806,
70.950,
90.00,
90.00,
120.00
|
|
R / Rfree (%)
|
18.2 /
20.3
|
Other elements in 5bq5:
The structure of Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
(pdb code 5bq5). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the
Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3, PDB code: 5bq5:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Fluorine binding site 1 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 1 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F303
b:22.7
occ:1.00
|
F1
|
A:BEF303
|
0.0
|
22.7
|
1.0
|
|
BE
|
A:BEF303
|
1.5
|
22.0
|
1.0
|
|
HH
|
A:TYR170
|
1.7
|
68.3
|
1.0
|
|
HZ3
|
A:LYS111
|
1.9
|
26.9
|
1.0
|
|
OH
|
A:TYR170
|
2.4
|
57.0
|
1.0
|
|
O2B
|
A:ADP301
|
2.4
|
20.3
|
1.0
|
|
F3
|
A:BEF303
|
2.5
|
22.7
|
1.0
|
|
F2
|
A:BEF303
|
2.6
|
23.8
|
1.0
|
|
HE2
|
A:TYR170
|
2.6
|
60.4
|
1.0
|
|
O
|
A:HOH562
|
2.7
|
32.9
|
1.0
|
|
HA
|
A:PRO107
|
2.7
|
31.6
|
1.0
|
|
NZ
|
A:LYS111
|
2.8
|
22.4
|
1.0
|
|
HZ2
|
A:LYS111
|
3.1
|
26.9
|
1.0
|
|
CZ
|
A:TYR170
|
3.1
|
54.8
|
1.0
|
|
CE2
|
A:TYR170
|
3.2
|
50.4
|
1.0
|
|
HZ1
|
A:LYS111
|
3.2
|
26.9
|
1.0
|
|
O
|
A:HOH499
|
3.4
|
19.5
|
1.0
|
|
HE2
|
A:LYS111
|
3.4
|
26.5
|
1.0
|
|
CE
|
A:LYS111
|
3.5
|
22.1
|
1.0
|
|
HE3
|
A:LYS111
|
3.5
|
26.5
|
1.0
|
|
CA
|
A:PRO107
|
3.6
|
26.3
|
1.0
|
|
PB
|
A:ADP301
|
3.6
|
19.3
|
1.0
|
|
H
|
A:GLY108
|
3.6
|
27.6
|
1.0
|
|
MG
|
A:MG302
|
3.8
|
23.3
|
1.0
|
|
HB3
|
A:ASN199
|
3.8
|
42.5
|
1.0
|
|
HB3
|
A:PRO107
|
3.9
|
33.9
|
1.0
|
|
O1B
|
A:ADP301
|
4.0
|
16.1
|
1.0
|
|
O3B
|
A:ADP301
|
4.0
|
20.0
|
1.0
|
|
N
|
A:PRO107
|
4.3
|
26.0
|
1.0
|
|
CB
|
A:PRO107
|
4.3
|
28.3
|
1.0
|
|
HH12
|
A:ARG237
|
4.3
|
24.0
|
1.0
|
|
N
|
A:GLY108
|
4.3
|
23.0
|
1.0
|
|
CE1
|
A:TYR170
|
4.4
|
57.8
|
1.0
|
|
O
|
A:PRO106
|
4.4
|
24.9
|
1.0
|
|
CD2
|
A:TYR170
|
4.4
|
51.2
|
1.0
|
|
HG3
|
A:PRO107
|
4.5
|
34.4
|
1.0
|
|
C
|
A:PRO107
|
4.5
|
24.2
|
1.0
|
|
C
|
A:PRO106
|
4.6
|
25.1
|
1.0
|
|
HG3
|
A:GLU167
|
4.6
|
36.8
|
1.0
|
|
HH22
|
A:ARG237
|
4.7
|
25.2
|
1.0
|
|
O
|
A:GLY105
|
4.7
|
20.8
|
1.0
|
|
HB2
|
A:LYS111
|
4.7
|
22.2
|
1.0
|
|
O
|
A:HOH532
|
4.8
|
33.5
|
1.0
|
|
CB
|
A:ASN199
|
4.8
|
35.5
|
1.0
|
|
HE1
|
A:TYR170
|
4.8
|
69.4
|
1.0
|
|
HD2
|
A:TYR170
|
4.8
|
61.5
|
1.0
|
|
CG
|
A:PRO107
|
4.8
|
28.7
|
1.0
|
|
O3A
|
A:ADP301
|
4.9
|
23.8
|
1.0
|
|
CD
|
A:LYS111
|
5.0
|
20.8
|
1.0
|
|
HB2
|
A:ASN199
|
5.0
|
42.5
|
1.0
|
|
Fluorine binding site 2 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 2 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F303
b:23.8
occ:1.00
|
F2
|
A:BEF303
|
0.0
|
23.8
|
1.0
|
|
BE
|
A:BEF303
|
1.6
|
22.0
|
1.0
|
|
HH12
|
A:ARG237
|
2.0
|
24.0
|
1.0
|
|
HH
|
A:TYR170
|
2.4
|
68.3
|
1.0
|
|
O2B
|
A:ADP301
|
2.5
|
20.3
|
1.0
|
|
F3
|
A:BEF303
|
2.5
|
22.7
|
1.0
|
|
F1
|
A:BEF303
|
2.6
|
22.7
|
1.0
|
|
HB3
|
A:PRO107
|
2.7
|
33.9
|
1.0
|
|
HH22
|
A:ARG237
|
2.7
|
25.2
|
1.0
|
|
NH1
|
A:ARG237
|
2.8
|
20.0
|
1.0
|
|
HA
|
A:PRO107
|
2.9
|
31.6
|
1.0
|
|
H
|
A:GLY108
|
3.0
|
27.6
|
1.0
|
|
HE2
|
A:TYR170
|
3.1
|
60.4
|
1.0
|
|
OH
|
A:TYR170
|
3.2
|
57.0
|
1.0
|
|
NH2
|
A:ARG237
|
3.4
|
21.0
|
1.0
|
|
HH11
|
A:ARG237
|
3.4
|
24.0
|
1.0
|
|
CB
|
A:PRO107
|
3.5
|
28.3
|
1.0
|
|
CA
|
A:PRO107
|
3.5
|
26.3
|
1.0
|
|
CZ
|
A:ARG237
|
3.6
|
21.1
|
1.0
|
|
N
|
A:GLY108
|
3.6
|
23.0
|
1.0
|
|
CE2
|
A:TYR170
|
3.7
|
50.4
|
1.0
|
|
CZ
|
A:TYR170
|
3.9
|
54.8
|
1.0
|
|
PB
|
A:ADP301
|
3.9
|
19.3
|
1.0
|
|
HZ3
|
A:LYS111
|
4.0
|
26.9
|
1.0
|
|
HB2
|
A:PRO107
|
4.0
|
33.9
|
1.0
|
|
C
|
A:PRO107
|
4.1
|
24.2
|
1.0
|
|
HH21
|
A:ARG237
|
4.2
|
25.2
|
1.0
|
|
MG
|
A:MG302
|
4.2
|
23.3
|
1.0
|
|
HG3
|
A:PRO107
|
4.4
|
34.4
|
1.0
|
|
O
|
A:HOH457
|
4.4
|
16.3
|
1.0
|
|
HA2
|
A:GLY108
|
4.4
|
27.5
|
1.0
|
|
O3A
|
A:ADP301
|
4.4
|
23.8
|
1.0
|
|
O1B
|
A:ADP301
|
4.5
|
16.1
|
1.0
|
|
CG
|
A:PRO107
|
4.6
|
28.7
|
1.0
|
|
CA
|
A:GLY108
|
4.6
|
22.9
|
1.0
|
|
N
|
A:PRO107
|
4.8
|
26.0
|
1.0
|
|
NZ
|
A:LYS111
|
4.8
|
22.4
|
1.0
|
|
O
|
A:HOH562
|
4.8
|
32.9
|
1.0
|
|
HZ2
|
A:LYS111
|
4.8
|
26.9
|
1.0
|
|
NE
|
A:ARG237
|
4.9
|
22.3
|
1.0
|
|
O3B
|
A:ADP301
|
4.9
|
20.0
|
1.0
|
|
O
|
A:HOH499
|
4.9
|
19.5
|
1.0
|
|
CD2
|
A:TYR170
|
4.9
|
51.2
|
1.0
|
|
Fluorine binding site 3 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 3 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F303
b:22.7
occ:1.00
|
F3
|
A:BEF303
|
0.0
|
22.7
|
1.0
|
|
BE
|
A:BEF303
|
1.5
|
22.0
|
1.0
|
|
MG
|
A:MG302
|
1.8
|
23.3
|
1.0
|
|
O2B
|
A:ADP301
|
2.4
|
20.3
|
1.0
|
|
F2
|
A:BEF303
|
2.5
|
23.8
|
1.0
|
|
F1
|
A:BEF303
|
2.5
|
22.7
|
1.0
|
|
O
|
A:HOH457
|
2.7
|
16.3
|
1.0
|
|
O
|
A:HOH499
|
2.7
|
19.5
|
1.0
|
|
O
|
A:HOH416
|
2.9
|
21.3
|
1.0
|
|
O1B
|
A:ADP301
|
2.9
|
16.1
|
1.0
|
|
HH22
|
A:ARG237
|
3.0
|
25.2
|
1.0
|
|
HE2
|
A:TYR170
|
3.1
|
60.4
|
1.0
|
|
PB
|
A:ADP301
|
3.2
|
19.3
|
1.0
|
|
HG3
|
A:GLU167
|
3.4
|
36.8
|
1.0
|
|
HH
|
A:TYR170
|
3.6
|
68.3
|
1.0
|
|
O
|
A:HOH562
|
3.7
|
32.9
|
1.0
|
|
HZ3
|
A:LYS111
|
3.8
|
26.9
|
1.0
|
|
NH2
|
A:ARG237
|
3.8
|
21.0
|
1.0
|
|
OG1
|
A:THR112
|
3.9
|
17.8
|
1.0
|
|
HH12
|
A:ARG237
|
3.9
|
24.0
|
1.0
|
|
CE2
|
A:TYR170
|
4.0
|
50.4
|
1.0
|
|
O3A
|
A:ADP301
|
4.1
|
23.8
|
1.0
|
|
OE2
|
A:GLU167
|
4.1
|
32.0
|
1.0
|
|
H
|
A:GLY108
|
4.2
|
27.6
|
1.0
|
|
CG
|
A:GLU167
|
4.3
|
30.6
|
1.0
|
|
HH21
|
A:ARG237
|
4.3
|
25.2
|
1.0
|
|
O3B
|
A:ADP301
|
4.3
|
20.0
|
1.0
|
|
OH
|
A:TYR170
|
4.4
|
57.0
|
1.0
|
|
HZ2
|
A:LYS111
|
4.4
|
26.9
|
1.0
|
|
HE2
|
A:LYS111
|
4.4
|
26.5
|
1.0
|
|
HA
|
A:PRO107
|
4.5
|
31.6
|
1.0
|
|
NZ
|
A:LYS111
|
4.5
|
22.4
|
1.0
|
|
HG2
|
A:GLU167
|
4.5
|
36.8
|
1.0
|
|
NH1
|
A:ARG237
|
4.6
|
20.0
|
1.0
|
|
O
|
A:HOH575
|
4.7
|
49.1
|
1.0
|
|
CD
|
A:GLU167
|
4.7
|
33.2
|
1.0
|
|
CZ
|
A:TYR170
|
4.7
|
54.8
|
1.0
|
|
CZ
|
A:ARG237
|
4.7
|
21.1
|
1.0
|
|
HB
|
A:THR112
|
4.7
|
20.7
|
1.0
|
|
O1A
|
A:ADP301
|
4.8
|
19.8
|
1.0
|
|
HA
|
A:GLU167
|
4.9
|
30.8
|
1.0
|
|
HD2
|
A:TYR170
|
4.9
|
61.5
|
1.0
|
|
H
|
A:THR112
|
4.9
|
21.3
|
1.0
|
|
HB2
|
A:LYS111
|
4.9
|
22.2
|
1.0
|
|
CB
|
A:THR112
|
4.9
|
17.3
|
1.0
|
|
CD2
|
A:TYR170
|
5.0
|
51.2
|
1.0
|
|
CE
|
A:LYS111
|
5.0
|
22.1
|
1.0
|
|
Fluorine binding site 4 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 4 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F303
b:29.7
occ:1.00
|
F1
|
B:BEF303
|
0.0
|
29.7
|
1.0
|
|
BE
|
B:BEF303
|
1.5
|
29.3
|
1.0
|
|
HH
|
B:TYR170
|
1.9
|
79.8
|
1.0
|
|
HZ3
|
B:LYS111
|
2.0
|
31.1
|
1.0
|
|
O3B
|
B:ADP301
|
2.4
|
27.4
|
1.0
|
|
F3
|
B:BEF303
|
2.5
|
32.0
|
1.0
|
|
F2
|
B:BEF303
|
2.5
|
31.8
|
1.0
|
|
HE2
|
B:TYR170
|
2.6
|
72.5
|
1.0
|
|
O
|
B:HOH525
|
2.7
|
37.8
|
1.0
|
|
OH
|
B:TYR170
|
2.7
|
66.5
|
1.0
|
|
HA
|
B:PRO107
|
2.8
|
36.7
|
1.0
|
|
NZ
|
B:LYS111
|
2.9
|
25.9
|
1.0
|
|
CE2
|
B:TYR170
|
3.2
|
60.5
|
1.0
|
|
HZ2
|
B:LYS111
|
3.2
|
31.1
|
1.0
|
|
HE2
|
B:LYS111
|
3.3
|
31.9
|
1.0
|
|
CZ
|
B:TYR170
|
3.3
|
64.4
|
1.0
|
|
HZ1
|
B:LYS111
|
3.4
|
31.1
|
1.0
|
|
O
|
B:HOH465
|
3.4
|
25.4
|
1.0
|
|
CE
|
B:LYS111
|
3.5
|
26.6
|
1.0
|
|
HE3
|
B:LYS111
|
3.5
|
31.9
|
1.0
|
|
PB
|
B:ADP301
|
3.6
|
25.0
|
1.0
|
|
H
|
B:GLY108
|
3.7
|
34.6
|
1.0
|
|
MG
|
B:MG302
|
3.7
|
28.0
|
1.0
|
|
CA
|
B:PRO107
|
3.8
|
30.6
|
1.0
|
|
HB3
|
B:ASN199
|
3.9
|
46.6
|
1.0
|
|
O2B
|
B:ADP301
|
3.9
|
23.9
|
1.0
|
|
HB3
|
B:PRO107
|
4.0
|
37.1
|
1.0
|
|
O1B
|
B:ADP301
|
4.1
|
25.4
|
1.0
|
|
HH12
|
B:ARG237
|
4.3
|
31.9
|
1.0
|
|
N
|
B:GLY108
|
4.4
|
28.8
|
1.0
|
|
N
|
B:PRO107
|
4.4
|
30.4
|
1.0
|
|
CB
|
B:PRO107
|
4.4
|
30.9
|
1.0
|
|
CD2
|
B:TYR170
|
4.5
|
61.5
|
1.0
|
|
O
|
B:PRO106
|
4.5
|
28.2
|
1.0
|
|
HH22
|
B:ARG237
|
4.5
|
33.0
|
1.0
|
|
HG3
|
B:PRO107
|
4.6
|
37.1
|
1.0
|
|
C
|
B:PRO107
|
4.6
|
29.1
|
1.0
|
|
CE1
|
B:TYR170
|
4.6
|
66.7
|
1.0
|
|
C
|
B:PRO106
|
4.7
|
29.2
|
1.0
|
|
HB2
|
B:LYS111
|
4.7
|
28.4
|
1.0
|
|
O
|
B:HOH514
|
4.7
|
38.2
|
1.0
|
|
HG2
|
B:GLU167
|
4.7
|
48.0
|
1.0
|
|
HD2
|
B:TYR170
|
4.8
|
73.8
|
1.0
|
|
HG3
|
B:GLU167
|
4.8
|
48.0
|
1.0
|
|
CB
|
B:ASN199
|
4.8
|
38.8
|
1.0
|
|
O
|
B:GLY105
|
4.8
|
25.6
|
1.0
|
|
O
|
B:HOH436
|
4.9
|
21.7
|
1.0
|
|
O3A
|
B:ADP301
|
4.9
|
26.2
|
1.0
|
|
CD
|
B:LYS111
|
4.9
|
27.0
|
1.0
|
|
O
|
B:HOH426
|
5.0
|
32.2
|
1.0
|
|
CG
|
B:PRO107
|
5.0
|
30.9
|
1.0
|
|
Fluorine binding site 5 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 5 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F303
b:31.8
occ:1.00
|
F2
|
B:BEF303
|
0.0
|
31.8
|
1.0
|
|
BE
|
B:BEF303
|
1.6
|
29.3
|
1.0
|
|
HH12
|
B:ARG237
|
1.9
|
31.9
|
1.0
|
|
O3B
|
B:ADP301
|
2.4
|
27.4
|
1.0
|
|
F3
|
B:BEF303
|
2.5
|
32.0
|
1.0
|
|
HH22
|
B:ARG237
|
2.5
|
33.0
|
1.0
|
|
F1
|
B:BEF303
|
2.5
|
29.7
|
1.0
|
|
HH
|
B:TYR170
|
2.7
|
79.8
|
1.0
|
|
NH1
|
B:ARG237
|
2.8
|
26.6
|
1.0
|
|
HB3
|
B:PRO107
|
2.9
|
37.1
|
1.0
|
|
HA
|
B:PRO107
|
2.9
|
36.7
|
1.0
|
|
H
|
B:GLY108
|
3.0
|
34.6
|
1.0
|
|
NH2
|
B:ARG237
|
3.2
|
27.5
|
1.0
|
|
HE2
|
B:TYR170
|
3.2
|
72.5
|
1.0
|
|
HH11
|
B:ARG237
|
3.4
|
31.9
|
1.0
|
|
CZ
|
B:ARG237
|
3.4
|
27.2
|
1.0
|
|
OH
|
B:TYR170
|
3.4
|
66.5
|
1.0
|
|
CA
|
B:PRO107
|
3.6
|
30.6
|
1.0
|
|
CB
|
B:PRO107
|
3.6
|
30.9
|
1.0
|
|
N
|
B:GLY108
|
3.6
|
28.8
|
1.0
|
|
PB
|
B:ADP301
|
3.9
|
25.0
|
1.0
|
|
CE2
|
B:TYR170
|
3.9
|
60.5
|
1.0
|
|
HH21
|
B:ARG237
|
4.0
|
33.0
|
1.0
|
|
HZ3
|
B:LYS111
|
4.0
|
31.1
|
1.0
|
|
CZ
|
B:TYR170
|
4.1
|
64.4
|
1.0
|
|
C
|
B:PRO107
|
4.1
|
29.1
|
1.0
|
|
HB2
|
B:PRO107
|
4.2
|
37.1
|
1.0
|
|
MG
|
B:MG302
|
4.2
|
28.0
|
1.0
|
|
O
|
B:HOH436
|
4.2
|
21.7
|
1.0
|
|
HA2
|
B:GLY108
|
4.4
|
33.6
|
1.0
|
|
O3A
|
B:ADP301
|
4.4
|
26.2
|
1.0
|
|
O2B
|
B:ADP301
|
4.5
|
23.9
|
1.0
|
|
HG3
|
B:PRO107
|
4.5
|
37.1
|
1.0
|
|
CA
|
B:GLY108
|
4.6
|
28.0
|
1.0
|
|
CG
|
B:PRO107
|
4.7
|
30.9
|
1.0
|
|
NE
|
B:ARG237
|
4.7
|
27.9
|
1.0
|
|
NZ
|
B:LYS111
|
4.8
|
25.9
|
1.0
|
|
HZ2
|
B:LYS111
|
4.9
|
31.1
|
1.0
|
|
N
|
B:PRO107
|
4.9
|
30.4
|
1.0
|
|
O1B
|
B:ADP301
|
4.9
|
25.4
|
1.0
|
|
O
|
B:HOH525
|
4.9
|
37.8
|
1.0
|
|
HA3
|
B:GLY108
|
5.0
|
33.6
|
1.0
|
|
O
|
B:HOH426
|
5.0
|
32.2
|
1.0
|
|
Fluorine binding site 6 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 6 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F303
b:32.0
occ:1.00
|
F3
|
B:BEF303
|
0.0
|
32.0
|
1.0
|
|
BE
|
B:BEF303
|
1.6
|
29.3
|
1.0
|
|
MG
|
B:MG302
|
1.8
|
28.0
|
1.0
|
|
O3B
|
B:ADP301
|
2.5
|
27.4
|
1.0
|
|
F2
|
B:BEF303
|
2.5
|
31.8
|
1.0
|
|
F1
|
B:BEF303
|
2.5
|
29.7
|
1.0
|
|
O
|
B:HOH436
|
2.5
|
21.7
|
1.0
|
|
O
|
B:HOH426
|
2.7
|
32.2
|
1.0
|
|
O
|
B:HOH465
|
2.9
|
25.4
|
1.0
|
|
HH22
|
B:ARG237
|
2.9
|
33.0
|
1.0
|
|
O2B
|
B:ADP301
|
2.9
|
23.9
|
1.0
|
|
PB
|
B:ADP301
|
3.2
|
25.0
|
1.0
|
|
HE2
|
B:TYR170
|
3.3
|
72.5
|
1.0
|
|
HG3
|
B:GLU167
|
3.5
|
48.0
|
1.0
|
|
NH2
|
B:ARG237
|
3.7
|
27.5
|
1.0
|
|
OG1
|
B:THR112
|
3.8
|
23.7
|
1.0
|
|
HH
|
B:TYR170
|
3.9
|
79.8
|
1.0
|
|
HZ3
|
B:LYS111
|
3.9
|
31.1
|
1.0
|
|
O
|
B:HOH525
|
3.9
|
37.8
|
1.0
|
|
HH12
|
B:ARG237
|
4.0
|
31.9
|
1.0
|
|
HH21
|
B:ARG237
|
4.1
|
33.0
|
1.0
|
|
HG2
|
B:GLU167
|
4.1
|
48.0
|
1.0
|
|
O3A
|
B:ADP301
|
4.1
|
26.2
|
1.0
|
|
OE2
|
B:GLU167
|
4.2
|
40.8
|
1.0
|
|
CE2
|
B:TYR170
|
4.2
|
60.5
|
1.0
|
|
CG
|
B:GLU167
|
4.2
|
40.0
|
1.0
|
|
H
|
B:GLY108
|
4.3
|
34.6
|
1.0
|
|
HE2
|
B:LYS111
|
4.4
|
31.9
|
1.0
|
|
O1B
|
B:ADP301
|
4.4
|
25.4
|
1.0
|
|
HZ2
|
B:LYS111
|
4.5
|
31.1
|
1.0
|
|
HA
|
B:PRO107
|
4.6
|
36.7
|
1.0
|
|
NZ
|
B:LYS111
|
4.6
|
25.9
|
1.0
|
|
NH1
|
B:ARG237
|
4.6
|
26.6
|
1.0
|
|
O2A
|
B:ADP301
|
4.6
|
25.0
|
1.0
|
|
CD
|
B:GLU167
|
4.6
|
42.1
|
1.0
|
|
CZ
|
B:ARG237
|
4.6
|
27.2
|
1.0
|
|
HB
|
B:THR112
|
4.7
|
29.0
|
1.0
|
|
OH
|
B:TYR170
|
4.7
|
66.5
|
1.0
|
|
H
|
B:THR112
|
4.8
|
28.4
|
1.0
|
|
CB
|
B:THR112
|
4.9
|
24.1
|
1.0
|
|
HB2
|
B:LYS111
|
4.9
|
28.4
|
1.0
|
|
O
|
B:HOH520
|
4.9
|
49.8
|
1.0
|
|
CZ
|
B:TYR170
|
5.0
|
64.4
|
1.0
|
|
HD2
|
B:TYR170
|
5.0
|
73.8
|
1.0
|
|
CE
|
B:LYS111
|
5.0
|
26.6
|
1.0
|
|
Fluorine binding site 7 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 7 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F303
b:35.3
occ:1.00
|
F1
|
C:BEF303
|
0.0
|
35.3
|
1.0
|
|
BE
|
C:BEF303
|
1.5
|
34.0
|
1.0
|
|
HH
|
C:TYR170
|
1.6
|
0.7
|
1.0
|
|
HZ3
|
C:LYS111
|
1.9
|
40.3
|
1.0
|
|
OH
|
C:TYR170
|
2.2
|
83.9
|
1.0
|
|
O2B
|
C:ADP301
|
2.4
|
32.2
|
1.0
|
|
O
|
C:HOH540
|
2.5
|
44.4
|
1.0
|
|
F3
|
C:BEF303
|
2.5
|
34.7
|
1.0
|
|
F2
|
C:BEF303
|
2.6
|
33.9
|
1.0
|
|
HE1
|
C:TYR170
|
2.6
|
87.3
|
1.0
|
|
HA
|
C:PRO107
|
2.7
|
41.8
|
1.0
|
|
NZ
|
C:LYS111
|
2.8
|
33.6
|
1.0
|
|
CZ
|
C:TYR170
|
3.0
|
78.8
|
1.0
|
|
CE1
|
C:TYR170
|
3.1
|
72.7
|
1.0
|
|
HZ2
|
C:LYS111
|
3.2
|
40.3
|
1.0
|
|
HE2
|
C:LYS111
|
3.3
|
38.4
|
1.0
|
|
O
|
C:HOH497
|
3.3
|
23.7
|
1.0
|
|
HZ1
|
C:LYS111
|
3.3
|
40.3
|
1.0
|
|
CE
|
C:LYS111
|
3.4
|
32.0
|
1.0
|
|
HE3
|
C:LYS111
|
3.4
|
38.4
|
1.0
|
|
PB
|
C:ADP301
|
3.6
|
30.9
|
1.0
|
|
MG
|
C:MG302
|
3.7
|
33.2
|
1.0
|
|
CA
|
C:PRO107
|
3.7
|
34.8
|
1.0
|
|
H
|
C:GLY108
|
3.7
|
38.7
|
1.0
|
|
HH22
|
B:ARG221
|
3.8
|
56.0
|
1.0
|
|
HB3
|
C:ASN199
|
3.8
|
51.9
|
1.0
|
|
O3B
|
C:ADP301
|
3.8
|
29.9
|
1.0
|
|
HB3
|
C:PRO107
|
3.9
|
42.0
|
1.0
|
|
O1B
|
C:ADP301
|
4.0
|
31.5
|
1.0
|
|
HH12
|
B:ARG221
|
4.1
|
51.5
|
1.0
|
|
CE2
|
C:TYR170
|
4.2
|
78.7
|
1.0
|
|
N
|
C:PRO107
|
4.3
|
34.3
|
1.0
|
|
CD1
|
C:TYR170
|
4.3
|
72.4
|
1.0
|
|
CB
|
C:PRO107
|
4.3
|
35.0
|
1.0
|
|
N
|
C:GLY108
|
4.4
|
32.3
|
1.0
|
|
HH12
|
C:ARG237
|
4.4
|
34.1
|
1.0
|
|
O
|
C:PRO106
|
4.5
|
34.7
|
1.0
|
|
HG3
|
C:PRO107
|
4.5
|
40.1
|
1.0
|
|
HE2
|
C:TYR170
|
4.5
|
94.5
|
1.0
|
|
C
|
C:PRO106
|
4.6
|
34.7
|
1.0
|
|
C
|
C:PRO107
|
4.6
|
34.4
|
1.0
|
|
NH2
|
B:ARG221
|
4.6
|
46.7
|
1.0
|
|
HB2
|
C:LYS111
|
4.6
|
33.6
|
1.0
|
|
HG2
|
C:GLU167
|
4.7
|
48.9
|
1.0
|
|
HD1
|
C:TYR170
|
4.8
|
86.8
|
1.0
|
|
CB
|
C:ASN199
|
4.8
|
43.3
|
1.0
|
|
O
|
C:GLY105
|
4.8
|
31.0
|
1.0
|
|
HH22
|
C:ARG237
|
4.8
|
36.4
|
1.0
|
|
O
|
C:HOH531
|
4.8
|
49.9
|
1.0
|
|
O3A
|
C:ADP301
|
4.9
|
32.4
|
1.0
|
|
CD
|
C:LYS111
|
4.9
|
29.9
|
1.0
|
|
CG
|
C:PRO107
|
4.9
|
33.4
|
1.0
|
|
HG3
|
C:GLU167
|
4.9
|
48.9
|
1.0
|
|
NH1
|
B:ARG221
|
4.9
|
42.9
|
1.0
|
|
O
|
C:HOH430
|
4.9
|
26.6
|
1.0
|
|
HB2
|
C:ASN199
|
5.0
|
51.9
|
1.0
|
|
Fluorine binding site 8 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 8 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F303
b:33.9
occ:1.00
|
F2
|
C:BEF303
|
0.0
|
33.9
|
1.0
|
|
BE
|
C:BEF303
|
1.6
|
34.0
|
1.0
|
|
HH12
|
C:ARG237
|
2.0
|
34.1
|
1.0
|
|
HH
|
C:TYR170
|
2.1
|
0.7
|
1.0
|
|
HH12
|
B:ARG221
|
2.2
|
51.5
|
1.0
|
|
O2B
|
C:ADP301
|
2.4
|
32.2
|
1.0
|
|
F3
|
C:BEF303
|
2.5
|
34.7
|
1.0
|
|
F1
|
C:BEF303
|
2.6
|
35.3
|
1.0
|
|
HB3
|
C:PRO107
|
2.7
|
42.0
|
1.0
|
|
HH22
|
B:ARG221
|
2.7
|
56.0
|
1.0
|
|
HA
|
C:PRO107
|
2.8
|
41.8
|
1.0
|
|
HH22
|
C:ARG237
|
2.8
|
36.4
|
1.0
|
|
OH
|
C:TYR170
|
2.9
|
83.9
|
1.0
|
|
NH1
|
B:ARG221
|
2.9
|
42.9
|
1.0
|
|
NH1
|
C:ARG237
|
2.9
|
28.4
|
1.0
|
|
H
|
C:GLY108
|
3.0
|
38.7
|
1.0
|
|
HE1
|
C:TYR170
|
3.1
|
87.3
|
1.0
|
|
NH2
|
B:ARG221
|
3.3
|
46.7
|
1.0
|
|
CZ
|
B:ARG221
|
3.4
|
43.6
|
1.0
|
|
CB
|
C:PRO107
|
3.5
|
35.0
|
1.0
|
|
CA
|
C:PRO107
|
3.5
|
34.8
|
1.0
|
|
HH11
|
C:ARG237
|
3.5
|
34.1
|
1.0
|
|
HH11
|
B:ARG221
|
3.5
|
51.5
|
1.0
|
|
NH2
|
C:ARG237
|
3.5
|
30.3
|
1.0
|
|
N
|
C:GLY108
|
3.6
|
32.3
|
1.0
|
|
CZ
|
C:ARG237
|
3.6
|
29.4
|
1.0
|
|
CZ
|
C:TYR170
|
3.6
|
78.8
|
1.0
|
|
CE1
|
C:TYR170
|
3.7
|
72.7
|
1.0
|
|
PB
|
C:ADP301
|
3.8
|
30.9
|
1.0
|
|
HZ3
|
C:LYS111
|
3.9
|
40.3
|
1.0
|
|
HH21
|
B:ARG221
|
4.0
|
56.0
|
1.0
|
|
HB2
|
C:PRO107
|
4.0
|
42.0
|
1.0
|
|
C
|
C:PRO107
|
4.0
|
34.4
|
1.0
|
|
MG
|
C:MG302
|
4.1
|
33.2
|
1.0
|
|
HH21
|
C:ARG237
|
4.3
|
36.4
|
1.0
|
|
HG3
|
C:PRO107
|
4.3
|
40.1
|
1.0
|
|
O3A
|
C:ADP301
|
4.3
|
32.4
|
1.0
|
|
O
|
C:HOH437
|
4.4
|
30.3
|
1.0
|
|
O3B
|
C:ADP301
|
4.4
|
29.9
|
1.0
|
|
HA2
|
C:GLY108
|
4.5
|
38.3
|
1.0
|
|
CG
|
C:PRO107
|
4.5
|
33.4
|
1.0
|
|
HB3
|
B:ASP220
|
4.6
|
46.0
|
1.0
|
|
HA
|
B:ALA217
|
4.6
|
46.6
|
1.0
|
|
NE
|
B:ARG221
|
4.6
|
41.0
|
1.0
|
|
CA
|
C:GLY108
|
4.6
|
31.9
|
1.0
|
|
HB1
|
B:ALA217
|
4.7
|
48.4
|
1.0
|
|
N
|
C:PRO107
|
4.7
|
34.3
|
1.0
|
|
NZ
|
C:LYS111
|
4.7
|
33.6
|
1.0
|
|
O
|
C:HOH540
|
4.8
|
44.4
|
1.0
|
|
HZ2
|
C:LYS111
|
4.8
|
40.3
|
1.0
|
|
O1B
|
C:ADP301
|
4.8
|
31.5
|
1.0
|
|
O
|
C:HOH497
|
4.9
|
23.7
|
1.0
|
|
CE2
|
C:TYR170
|
4.9
|
78.7
|
1.0
|
|
OD2
|
B:ASP220
|
4.9
|
39.7
|
1.0
|
|
CD1
|
C:TYR170
|
4.9
|
72.4
|
1.0
|
|
NE
|
C:ARG237
|
4.9
|
29.7
|
1.0
|
|
O
|
C:HOH430
|
5.0
|
26.6
|
1.0
|
|
Fluorine binding site 9 out
of 9 in 5bq5
Go back to
Fluorine Binding Sites List in 5bq5
Fluorine binding site 9 out
of 9 in the Crystal Structure of the Istb Aaa+ Domain Bound to Adp-BEF3
 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 the Istb Aaa+ Domain Bound to Adp-BEF3 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F303
b:34.7
occ:1.00
|
F3
|
C:BEF303
|
0.0
|
34.7
|
1.0
|
|
BE
|
C:BEF303
|
1.5
|
34.0
|
1.0
|
|
MG
|
C:MG302
|
1.8
|
33.2
|
1.0
|
|
HH22
|
B:ARG221
|
2.3
|
56.0
|
1.0
|
|
O2B
|
C:ADP301
|
2.5
|
32.2
|
1.0
|
|
F2
|
C:BEF303
|
2.5
|
33.9
|
1.0
|
|
F1
|
C:BEF303
|
2.5
|
35.3
|
1.0
|
|
O
|
C:HOH430
|
2.7
|
26.6
|
1.0
|
|
O
|
C:HOH437
|
2.7
|
30.3
|
1.0
|
|
O
|
C:HOH497
|
2.7
|
23.7
|
1.0
|
|
O3B
|
C:ADP301
|
2.8
|
29.9
|
1.0
|
|
HE1
|
C:TYR170
|
2.9
|
87.3
|
1.0
|
|
NH2
|
B:ARG221
|
3.0
|
46.7
|
1.0
|
|
HH22
|
C:ARG237
|
3.1
|
36.4
|
1.0
|
|
PB
|
C:ADP301
|
3.2
|
30.9
|
1.0
|
|
HH21
|
B:ARG221
|
3.2
|
56.0
|
1.0
|
|
HH
|
C:TYR170
|
3.3
|
0.7
|
1.0
|
|
HG3
|
C:GLU167
|
3.5
|
48.9
|
1.0
|
|
CE1
|
C:TYR170
|
3.8
|
72.7
|
1.0
|
|
HH12
|
B:ARG221
|
3.8
|
51.5
|
1.0
|
|
OG1
|
C:THR112
|
3.8
|
26.7
|
1.0
|
|
HZ3
|
C:LYS111
|
3.9
|
40.3
|
1.0
|
|
NH2
|
C:ARG237
|
3.9
|
30.3
|
1.0
|
|
O
|
C:HOH540
|
3.9
|
44.4
|
1.0
|
|
HH12
|
C:ARG237
|
4.0
|
34.1
|
1.0
|
|
HG2
|
C:GLU167
|
4.0
|
48.9
|
1.0
|
|
CZ
|
B:ARG221
|
4.0
|
43.6
|
1.0
|
|
OH
|
C:TYR170
|
4.1
|
83.9
|
1.0
|
|
O3A
|
C:ADP301
|
4.1
|
32.4
|
1.0
|
|
CG
|
C:GLU167
|
4.2
|
40.7
|
1.0
|
|
NH1
|
B:ARG221
|
4.3
|
42.9
|
1.0
|
|
H
|
C:GLY108
|
4.3
|
38.7
|
1.0
|
|
OE2
|
C:GLU167
|
4.3
|
44.5
|
1.0
|
|
O
|
C:HOH533
|
4.3
|
46.5
|
1.0
|
|
HH21
|
C:ARG237
|
4.4
|
36.4
|
1.0
|
|
HE2
|
C:LYS111
|
4.4
|
38.4
|
1.0
|
|
CZ
|
C:TYR170
|
4.4
|
78.8
|
1.0
|
|
O1B
|
C:ADP301
|
4.4
|
31.5
|
1.0
|
|
HA
|
C:PRO107
|
4.4
|
41.8
|
1.0
|
|
HZ2
|
C:LYS111
|
4.5
|
40.3
|
1.0
|
|
NZ
|
C:LYS111
|
4.5
|
33.6
|
1.0
|
|
HB
|
C:THR112
|
4.6
|
31.9
|
1.0
|
|
CD
|
C:GLU167
|
4.7
|
43.9
|
1.0
|
|
NH1
|
C:ARG237
|
4.7
|
28.4
|
1.0
|
|
HD1
|
C:TYR170
|
4.8
|
86.8
|
1.0
|
|
O2A
|
C:ADP301
|
4.8
|
29.7
|
1.0
|
|
CD1
|
C:TYR170
|
4.8
|
72.4
|
1.0
|
|
CZ
|
C:ARG237
|
4.8
|
29.4
|
1.0
|
|
H
|
C:THR112
|
4.9
|
33.5
|
1.0
|
|
CB
|
C:THR112
|
4.9
|
26.6
|
1.0
|
|
HB2
|
C:LYS111
|
4.9
|
33.6
|
1.0
|
|
CE
|
C:LYS111
|
5.0
|
32.0
|
1.0
|
|
HA
|
C:GLU167
|
5.0
|
42.5
|
1.0
|
|
HG1
|
C:THR197
|
5.0
|
35.0
|
1.0
|
|
Reference:
E.Arias-Palomo,
J.M.Berger.
An Atypical Aaa+ Atpase Assembly Controls Efficient Transposition Through Dna Remodeling and Transposase Recruitment. Cell V. 162 860 2015.
ISSN: ISSN 1097-4172
PubMed: 26276634
DOI: 10.1016/J.CELL.2015.07.037
Page generated: Thu Aug 1 08:07:30 2024
|
