Fluorine in PDB 5cll: Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1
Protein crystallography data
The structure of Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1, PDB code: 5cll
was solved by
I.R.Vetter,
S.Brucker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.81 /
2.45
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.600,
55.780,
122.930,
90.00,
90.05,
90.00
|
R / Rfree (%)
|
23.5 /
27.2
|
Other elements in 5cll:
The structure of Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1
(pdb code 5cll). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1, PDB code: 5cll:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 5cll
Go back to
Fluorine Binding Sites List in 5cll
Fluorine binding site 1 out
of 6 in the Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:24.4
occ:1.00
|
F1
|
A:BEF201
|
0.0
|
24.4
|
1.0
|
MG
|
A:MG202
|
1.6
|
27.4
|
1.0
|
BE
|
A:BEF201
|
1.7
|
24.0
|
1.0
|
OG1
|
A:THR42
|
2.5
|
29.0
|
1.0
|
O
|
A:HOH301
|
2.6
|
17.5
|
1.0
|
O2B
|
A:GDP200
|
2.6
|
24.4
|
1.0
|
O3B
|
A:GDP200
|
2.7
|
24.0
|
1.0
|
O
|
A:HOH302
|
2.9
|
19.5
|
1.0
|
F3
|
A:BEF201
|
3.0
|
25.2
|
1.0
|
CB
|
A:THR42
|
3.1
|
30.1
|
1.0
|
F2
|
A:BEF201
|
3.1
|
24.0
|
1.0
|
PB
|
A:GDP200
|
3.1
|
24.6
|
1.0
|
N
|
A:THR42
|
3.1
|
33.3
|
1.0
|
OG1
|
A:THR24
|
3.5
|
27.6
|
1.0
|
CA
|
A:THR42
|
3.7
|
32.7
|
1.0
|
O2A
|
A:GDP200
|
4.2
|
24.6
|
1.0
|
C
|
A:ALA41
|
4.2
|
35.4
|
1.0
|
O3A
|
A:GDP200
|
4.2
|
25.5
|
1.0
|
CA
|
A:ALA41
|
4.3
|
35.7
|
1.0
|
O1B
|
A:GDP200
|
4.3
|
24.7
|
1.0
|
CG2
|
A:THR42
|
4.4
|
29.8
|
1.0
|
NZ
|
A:LYS23
|
4.4
|
26.9
|
1.0
|
O
|
A:THR66
|
4.5
|
31.9
|
1.0
|
O
|
A:VAL40
|
4.5
|
33.0
|
1.0
|
CA
|
A:ALA67
|
4.6
|
35.1
|
1.0
|
CB
|
A:THR24
|
4.6
|
27.3
|
1.0
|
CE1
|
A:TYR39
|
4.7
|
36.9
|
1.0
|
C
|
A:THR42
|
4.8
|
34.8
|
1.0
|
CE
|
A:LYS23
|
4.8
|
25.9
|
1.0
|
PA
|
A:GDP200
|
4.8
|
24.2
|
1.0
|
O
|
A:THR42
|
4.9
|
35.2
|
1.0
|
CB
|
A:ALA67
|
5.0
|
36.2
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 5cll
Go back to
Fluorine Binding Sites List in 5cll
Fluorine binding site 2 out
of 6 in the Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:24.0
occ:1.00
|
F2
|
A:BEF201
|
0.0
|
24.0
|
1.0
|
BE
|
A:BEF201
|
1.7
|
24.0
|
1.0
|
NZ
|
A:LYS23
|
2.5
|
26.9
|
1.0
|
N
|
A:GLY68
|
2.7
|
37.5
|
1.0
|
O2B
|
A:GDP200
|
2.7
|
24.4
|
1.0
|
F3
|
A:BEF201
|
2.8
|
25.2
|
1.0
|
F1
|
A:BEF201
|
3.1
|
24.4
|
1.0
|
CA
|
A:GLY19
|
3.3
|
31.2
|
1.0
|
CA
|
A:GLY68
|
3.4
|
38.7
|
1.0
|
CE
|
A:LYS23
|
3.5
|
25.9
|
1.0
|
C
|
A:ALA67
|
3.6
|
35.6
|
1.0
|
CA
|
A:ALA67
|
3.6
|
35.1
|
1.0
|
N
|
A:GLY19
|
3.7
|
31.0
|
1.0
|
PB
|
A:GDP200
|
3.8
|
24.6
|
1.0
|
O
|
A:THR66
|
4.0
|
31.9
|
1.0
|
O
|
A:HOH302
|
4.1
|
19.5
|
1.0
|
O
|
A:ASP18
|
4.1
|
28.8
|
1.0
|
C
|
A:ASP18
|
4.1
|
30.0
|
1.0
|
O
|
A:GLY17
|
4.2
|
29.1
|
1.0
|
O1B
|
A:GDP200
|
4.2
|
24.7
|
1.0
|
NE2
|
A:GLN69
|
4.3
|
49.9
|
1.0
|
O3B
|
A:GDP200
|
4.4
|
24.0
|
1.0
|
MG
|
A:MG202
|
4.4
|
27.4
|
1.0
|
C
|
A:GLY19
|
4.4
|
31.8
|
1.0
|
C
|
A:GLY68
|
4.5
|
41.5
|
1.0
|
CB
|
A:ALA67
|
4.5
|
36.2
|
1.0
|
N
|
A:GLY20
|
4.5
|
30.7
|
1.0
|
N
|
A:GLN69
|
4.7
|
44.1
|
1.0
|
O
|
A:ALA67
|
4.7
|
34.9
|
1.0
|
N
|
A:ALA67
|
4.7
|
32.9
|
1.0
|
C
|
A:THR66
|
4.8
|
31.8
|
1.0
|
OH
|
A:TYR39
|
4.8
|
39.1
|
1.0
|
CD
|
A:LYS23
|
4.9
|
24.8
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 5cll
Go back to
Fluorine Binding Sites List in 5cll
Fluorine binding site 3 out
of 6 in the Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:25.2
occ:1.00
|
F3
|
A:BEF201
|
0.0
|
25.2
|
1.0
|
BE
|
A:BEF201
|
1.7
|
24.0
|
1.0
|
OH
|
A:TYR39
|
2.4
|
39.1
|
1.0
|
O2B
|
A:GDP200
|
2.6
|
24.4
|
1.0
|
F2
|
A:BEF201
|
2.8
|
24.0
|
1.0
|
F1
|
A:BEF201
|
3.0
|
24.4
|
1.0
|
CE1
|
A:TYR39
|
3.2
|
36.9
|
1.0
|
CZ
|
A:TYR39
|
3.2
|
38.9
|
1.0
|
NE2
|
A:GLN69
|
3.4
|
49.9
|
1.0
|
CA
|
A:ALA41
|
3.4
|
35.7
|
1.0
|
CB
|
A:ALA41
|
3.5
|
37.7
|
1.0
|
CA
|
A:GLY19
|
3.6
|
31.2
|
1.0
|
N
|
A:THR42
|
3.7
|
33.3
|
1.0
|
C
|
A:ALA41
|
4.1
|
35.4
|
1.0
|
PB
|
A:GDP200
|
4.1
|
24.6
|
1.0
|
N
|
A:GLY20
|
4.1
|
30.7
|
1.0
|
O
|
A:HOH301
|
4.3
|
17.5
|
1.0
|
C
|
A:GLY19
|
4.4
|
31.8
|
1.0
|
CD
|
A:GLN69
|
4.5
|
52.0
|
1.0
|
MG
|
A:MG202
|
4.5
|
27.4
|
1.0
|
N
|
A:ALA41
|
4.5
|
36.6
|
1.0
|
CE2
|
A:TYR39
|
4.6
|
41.2
|
1.0
|
CD1
|
A:TYR39
|
4.6
|
37.0
|
1.0
|
N
|
A:GLY68
|
4.6
|
37.5
|
1.0
|
O3B
|
A:GDP200
|
4.7
|
24.0
|
1.0
|
OE1
|
A:GLN69
|
4.7
|
53.3
|
1.0
|
O3A
|
A:GDP200
|
4.7
|
25.5
|
1.0
|
N
|
A:GLY19
|
4.8
|
31.0
|
1.0
|
CA
|
A:THR42
|
4.9
|
32.7
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 5cll
Go back to
Fluorine Binding Sites List in 5cll
Fluorine binding site 4 out
of 6 in the Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F201
b:26.1
occ:1.00
|
F1
|
C:BEF201
|
0.0
|
26.1
|
1.0
|
BE
|
C:BEF201
|
1.8
|
25.5
|
1.0
|
NZ
|
C:LYS23
|
2.5
|
25.7
|
1.0
|
N
|
C:GLY68
|
2.6
|
35.4
|
1.0
|
O3B
|
C:GDP200
|
2.8
|
25.3
|
1.0
|
F3
|
C:BEF201
|
3.0
|
25.5
|
1.0
|
F2
|
C:BEF201
|
3.1
|
25.5
|
1.0
|
CA
|
C:GLY68
|
3.3
|
36.9
|
1.0
|
CE
|
C:LYS23
|
3.3
|
25.4
|
1.0
|
CA
|
C:GLY19
|
3.4
|
31.6
|
1.0
|
C
|
C:ALA67
|
3.5
|
34.0
|
1.0
|
CA
|
C:ALA67
|
3.6
|
33.7
|
1.0
|
PB
|
C:GDP200
|
3.8
|
25.4
|
1.0
|
O
|
C:THR66
|
3.8
|
30.0
|
1.0
|
N
|
C:GLY19
|
3.8
|
30.9
|
1.0
|
O
|
C:GLY17
|
4.0
|
27.9
|
1.0
|
O
|
C:HOH302
|
4.1
|
19.3
|
1.0
|
O2B
|
C:GDP200
|
4.1
|
24.8
|
1.0
|
O
|
C:ASP18
|
4.1
|
28.9
|
1.0
|
C
|
C:ASP18
|
4.2
|
29.8
|
1.0
|
O1B
|
C:GDP200
|
4.2
|
25.6
|
1.0
|
MG
|
C:MG202
|
4.2
|
33.2
|
1.0
|
NE2
|
C:GLN69
|
4.4
|
47.2
|
1.0
|
C
|
C:GLY68
|
4.5
|
39.5
|
1.0
|
CB
|
C:ALA67
|
4.5
|
34.8
|
1.0
|
C
|
C:GLY19
|
4.6
|
32.0
|
1.0
|
O
|
C:ALA67
|
4.6
|
33.3
|
1.0
|
N
|
C:ALA67
|
4.6
|
31.9
|
1.0
|
C
|
C:THR66
|
4.6
|
30.6
|
1.0
|
N
|
C:GLY20
|
4.6
|
31.6
|
1.0
|
N
|
C:GLN69
|
4.7
|
41.9
|
1.0
|
CD
|
C:LYS23
|
4.7
|
24.2
|
1.0
|
O
|
C:HOH309
|
4.9
|
25.3
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 5cll
Go back to
Fluorine Binding Sites List in 5cll
Fluorine binding site 5 out
of 6 in the Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F201
b:25.5
occ:1.00
|
F2
|
C:BEF201
|
0.0
|
25.5
|
1.0
|
MG
|
C:MG202
|
1.7
|
33.2
|
1.0
|
BE
|
C:BEF201
|
1.7
|
25.5
|
1.0
|
OG1
|
C:THR42
|
2.5
|
31.5
|
1.0
|
O
|
C:HOH301
|
2.6
|
17.0
|
1.0
|
O1B
|
C:GDP200
|
2.7
|
25.6
|
1.0
|
O3B
|
C:GDP200
|
2.7
|
25.3
|
1.0
|
F3
|
C:BEF201
|
2.8
|
25.5
|
1.0
|
N
|
C:THR42
|
3.0
|
34.6
|
1.0
|
O
|
C:HOH302
|
3.0
|
19.3
|
1.0
|
CB
|
C:THR42
|
3.0
|
32.6
|
1.0
|
F1
|
C:BEF201
|
3.1
|
26.1
|
1.0
|
PB
|
C:GDP200
|
3.2
|
25.4
|
1.0
|
OG1
|
C:THR24
|
3.5
|
29.4
|
1.0
|
CA
|
C:THR42
|
3.6
|
35.0
|
1.0
|
C
|
C:ALA41
|
4.0
|
36.6
|
1.0
|
CA
|
C:ALA41
|
4.2
|
36.8
|
1.0
|
O1A
|
C:GDP200
|
4.3
|
24.1
|
1.0
|
O3A
|
C:GDP200
|
4.3
|
25.1
|
1.0
|
CG2
|
C:THR42
|
4.4
|
32.5
|
1.0
|
O2B
|
C:GDP200
|
4.4
|
24.8
|
1.0
|
CA
|
C:ALA67
|
4.5
|
33.7
|
1.0
|
O
|
C:VAL40
|
4.5
|
34.7
|
1.0
|
NZ
|
C:LYS23
|
4.5
|
25.7
|
1.0
|
O
|
C:THR66
|
4.6
|
30.0
|
1.0
|
CE1
|
C:TYR39
|
4.7
|
35.7
|
1.0
|
C
|
C:THR42
|
4.7
|
37.6
|
1.0
|
CB
|
C:THR24
|
4.7
|
28.8
|
1.0
|
O
|
C:THR42
|
4.7
|
37.7
|
1.0
|
CE
|
C:LYS23
|
4.9
|
25.4
|
1.0
|
CB
|
C:ALA67
|
4.9
|
34.8
|
1.0
|
PA
|
C:GDP200
|
4.9
|
23.5
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 5cll
Go back to
Fluorine Binding Sites List in 5cll
Fluorine binding site 6 out
of 6 in the Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Truncated Ran Wild Type in Complex with Gdp-Bef and RANBD1 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F201
b:25.5
occ:1.00
|
F3
|
C:BEF201
|
0.0
|
25.5
|
1.0
|
BE
|
C:BEF201
|
1.7
|
25.5
|
1.0
|
OH
|
C:TYR39
|
2.5
|
37.5
|
1.0
|
O3B
|
C:GDP200
|
2.5
|
25.3
|
1.0
|
F2
|
C:BEF201
|
2.8
|
25.5
|
1.0
|
F1
|
C:BEF201
|
3.0
|
26.1
|
1.0
|
CE1
|
C:TYR39
|
3.2
|
35.7
|
1.0
|
CZ
|
C:TYR39
|
3.2
|
37.6
|
1.0
|
CA
|
C:ALA41
|
3.3
|
36.8
|
1.0
|
CB
|
C:ALA41
|
3.4
|
38.4
|
1.0
|
NE2
|
C:GLN69
|
3.5
|
47.2
|
1.0
|
N
|
C:THR42
|
3.6
|
34.6
|
1.0
|
CA
|
C:GLY19
|
3.7
|
31.6
|
1.0
|
PB
|
C:GDP200
|
4.0
|
25.4
|
1.0
|
C
|
C:ALA41
|
4.0
|
36.6
|
1.0
|
N
|
C:GLY20
|
4.2
|
31.6
|
1.0
|
O
|
C:HOH301
|
4.2
|
17.0
|
1.0
|
MG
|
C:MG202
|
4.4
|
33.2
|
1.0
|
N
|
C:ALA41
|
4.4
|
37.5
|
1.0
|
O1B
|
C:GDP200
|
4.4
|
25.6
|
1.0
|
C
|
C:GLY19
|
4.5
|
32.0
|
1.0
|
CD1
|
C:TYR39
|
4.5
|
36.1
|
1.0
|
CE2
|
C:TYR39
|
4.6
|
39.8
|
1.0
|
CD
|
C:GLN69
|
4.6
|
49.0
|
1.0
|
O3A
|
C:GDP200
|
4.7
|
25.1
|
1.0
|
N
|
C:GLY68
|
4.7
|
35.4
|
1.0
|
OE1
|
C:GLN69
|
4.8
|
50.1
|
1.0
|
CA
|
C:THR42
|
4.8
|
35.0
|
1.0
|
N
|
C:GLY19
|
4.9
|
30.9
|
1.0
|
OG1
|
C:THR42
|
5.0
|
31.5
|
1.0
|
|
Reference:
T.Rudack,
S.Jenrich,
S.Brucker,
I.R.Vetter,
K.Gerwert,
C.Kotting.
Catalysis of Gtp Hydrolysis By Small Gtpases at Atomic Detail By Integration of X-Ray Crystallography, Experimental, and Theoretical Ir Spectroscopy. J.Biol.Chem. V. 290 24079 2015.
ISSN: ESSN 1083-351X
PubMed: 26272610
DOI: 10.1074/JBC.M115.648071
Page generated: Thu Aug 1 08:33:40 2024
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