Fluorine in PDB 4hlq: Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
Protein crystallography data
The structure of Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens, PDB code: 4hlq
was solved by
E.M.Gazdag,
K.Gavriljuk,
A.Itzen,
C.Koetting,
K.Gerwert,
R.S.Goody,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.22 /
3.30
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
88.170,
118.640,
290.110,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.6 /
27.4
|
Other elements in 4hlq:
The structure of Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
15;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
(pdb code 4hlq). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 15 binding sites of Fluorine where determined in the
Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens, PDB code: 4hlq:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 1 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F203
b:64.5
occ:1.00
|
F1
|
B:BEF203
|
0.0
|
64.5
|
1.0
|
BE
|
B:BEF203
|
1.5
|
64.5
|
1.0
|
F3
|
B:BEF203
|
2.5
|
64.8
|
1.0
|
F2
|
B:BEF203
|
2.6
|
64.2
|
1.0
|
N
|
B:GLY66
|
2.6
|
54.1
|
1.0
|
O1B
|
B:GDP202
|
2.8
|
53.8
|
1.0
|
NZ
|
B:LYS21
|
3.0
|
54.2
|
1.0
|
CA
|
B:GLY66
|
3.0
|
54.1
|
1.0
|
OG
|
B:SER17
|
3.2
|
59.4
|
1.0
|
CA
|
B:SER17
|
3.4
|
58.5
|
1.0
|
CB
|
B:SER17
|
3.5
|
59.3
|
1.0
|
C
|
B:ALA65
|
3.7
|
54.4
|
1.0
|
O
|
B:ASP16
|
3.9
|
57.1
|
1.0
|
PB
|
B:GDP202
|
4.0
|
52.9
|
1.0
|
N
|
B:GLY18
|
4.0
|
58.4
|
1.0
|
CA
|
B:ALA65
|
4.0
|
54.8
|
1.0
|
CE
|
B:LYS21
|
4.0
|
54.4
|
1.0
|
OE1
|
A:GLN144
|
4.0
|
52.9
|
1.0
|
O
|
B:THR64
|
4.2
|
54.1
|
1.0
|
O2B
|
B:GDP202
|
4.2
|
53.3
|
1.0
|
MG
|
B:MG201
|
4.2
|
65.6
|
1.0
|
C
|
B:SER17
|
4.2
|
58.6
|
1.0
|
C
|
B:GLY66
|
4.3
|
55.2
|
1.0
|
N
|
B:SER17
|
4.4
|
48.2
|
1.0
|
N
|
B:GLN67
|
4.4
|
55.9
|
1.0
|
NE2
|
A:GLN144
|
4.5
|
53.2
|
1.0
|
C
|
B:ASP16
|
4.5
|
57.7
|
1.0
|
CD
|
A:GLN144
|
4.7
|
52.1
|
1.0
|
O
|
B:ALA65
|
4.7
|
54.6
|
1.0
|
O3B
|
B:GDP202
|
4.8
|
51.8
|
1.0
|
C
|
B:THR64
|
4.9
|
54.5
|
1.0
|
N
|
B:ALA65
|
5.0
|
55.0
|
1.0
|
|
Fluorine binding site 2 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 2 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F203
b:64.2
occ:1.00
|
F2
|
B:BEF203
|
0.0
|
64.2
|
1.0
|
BE
|
B:BEF203
|
1.6
|
64.5
|
1.0
|
F3
|
B:BEF203
|
2.5
|
64.8
|
1.0
|
F1
|
B:BEF203
|
2.6
|
64.5
|
1.0
|
NH1
|
A:ARG105
|
2.7
|
56.9
|
1.0
|
NH2
|
A:ARG105
|
2.8
|
55.1
|
1.0
|
O1B
|
B:GDP202
|
2.9
|
53.8
|
1.0
|
NE2
|
A:GLN144
|
3.0
|
53.2
|
1.0
|
CZ
|
A:ARG105
|
3.2
|
56.4
|
1.0
|
OG
|
B:SER17
|
3.3
|
59.4
|
1.0
|
O2B
|
B:GDP202
|
3.6
|
53.3
|
1.0
|
PB
|
B:GDP202
|
3.8
|
52.9
|
1.0
|
N
|
B:GLY18
|
3.9
|
58.4
|
1.0
|
CD
|
A:GLN144
|
3.9
|
52.1
|
1.0
|
OE1
|
A:GLN144
|
3.9
|
52.9
|
1.0
|
MG
|
B:MG201
|
4.2
|
65.6
|
1.0
|
N
|
B:THR40
|
4.2
|
57.5
|
1.0
|
O3A
|
B:GDP202
|
4.3
|
53.9
|
1.0
|
CB
|
B:SER17
|
4.4
|
59.3
|
1.0
|
NE
|
A:ARG105
|
4.5
|
57.0
|
1.0
|
CA
|
B:SER17
|
4.5
|
58.5
|
1.0
|
C
|
B:SER17
|
4.6
|
58.6
|
1.0
|
OG1
|
B:THR40
|
4.6
|
54.8
|
1.0
|
CA
|
B:GLY18
|
4.6
|
58.9
|
1.0
|
CA
|
B:SER39
|
4.6
|
59.8
|
1.0
|
O2A
|
B:GDP202
|
4.7
|
54.8
|
1.0
|
N
|
B:GLY66
|
4.8
|
54.1
|
1.0
|
O
|
B:THR40
|
4.8
|
56.3
|
1.0
|
NZ
|
B:LYS21
|
4.9
|
54.2
|
1.0
|
C
|
B:SER39
|
4.9
|
59.2
|
1.0
|
CB
|
B:THR40
|
5.0
|
55.7
|
1.0
|
|
Fluorine binding site 3 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 3 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F203
b:64.8
occ:1.00
|
F3
|
B:BEF203
|
0.0
|
64.8
|
1.0
|
BE
|
B:BEF203
|
1.5
|
64.5
|
1.0
|
MG
|
B:MG201
|
2.1
|
65.6
|
1.0
|
F2
|
B:BEF203
|
2.5
|
64.2
|
1.0
|
F1
|
B:BEF203
|
2.5
|
64.5
|
1.0
|
O2B
|
B:GDP202
|
2.6
|
53.3
|
1.0
|
OG1
|
B:THR40
|
2.7
|
54.8
|
1.0
|
O1B
|
B:GDP202
|
3.0
|
53.8
|
1.0
|
CB
|
B:THR40
|
3.1
|
55.7
|
1.0
|
PB
|
B:GDP202
|
3.3
|
52.9
|
1.0
|
O
|
B:THR64
|
3.5
|
54.1
|
1.0
|
N
|
B:THR40
|
3.7
|
57.5
|
1.0
|
NZ
|
B:LYS21
|
3.7
|
54.2
|
1.0
|
OG
|
B:SER22
|
3.8
|
55.7
|
1.0
|
CA
|
B:THR40
|
3.9
|
56.8
|
1.0
|
O
|
B:THR40
|
3.9
|
56.3
|
1.0
|
O3B
|
B:GDP202
|
4.3
|
51.8
|
1.0
|
N
|
B:GLY66
|
4.3
|
54.1
|
1.0
|
NH1
|
A:ARG105
|
4.3
|
56.9
|
1.0
|
CA
|
B:ALA65
|
4.3
|
54.8
|
1.0
|
CG2
|
B:THR40
|
4.3
|
55.8
|
1.0
|
CE
|
B:LYS21
|
4.4
|
54.4
|
1.0
|
C
|
B:THR40
|
4.4
|
57.1
|
1.0
|
O3A
|
B:GDP202
|
4.5
|
53.9
|
1.0
|
C
|
B:THR64
|
4.5
|
54.5
|
1.0
|
OE1
|
A:GLN144
|
4.7
|
52.9
|
1.0
|
O2A
|
B:GDP202
|
4.8
|
54.8
|
1.0
|
C
|
B:ALA65
|
4.8
|
54.4
|
1.0
|
NE2
|
A:GLN144
|
4.9
|
53.2
|
1.0
|
C
|
B:SER39
|
4.9
|
59.2
|
1.0
|
N
|
B:ALA65
|
4.9
|
55.0
|
1.0
|
NH2
|
A:ARG105
|
4.9
|
55.1
|
1.0
|
|
Fluorine binding site 4 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 4 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F203
b:76.1
occ:1.00
|
F1
|
D:BEF203
|
0.0
|
76.1
|
1.0
|
BE
|
D:BEF203
|
1.5
|
76.1
|
1.0
|
MG
|
D:MG201
|
2.2
|
55.6
|
1.0
|
O3B
|
D:GDP202
|
2.5
|
68.0
|
1.0
|
OG1
|
D:THR40
|
2.5
|
62.5
|
1.0
|
F3
|
D:BEF203
|
2.6
|
75.8
|
1.0
|
F2
|
D:BEF203
|
2.6
|
75.8
|
1.0
|
OG
|
D:SER22
|
2.6
|
63.0
|
1.0
|
NZ
|
D:LYS21
|
3.0
|
64.5
|
1.0
|
O1B
|
D:GDP202
|
3.2
|
67.8
|
1.0
|
O
|
D:THR64
|
3.2
|
64.4
|
1.0
|
CB
|
D:THR40
|
3.2
|
63.3
|
1.0
|
PB
|
D:GDP202
|
3.3
|
67.5
|
1.0
|
O3A
|
D:GDP202
|
3.8
|
66.3
|
1.0
|
CB
|
D:SER22
|
4.0
|
63.5
|
1.0
|
CE
|
D:LYS21
|
4.1
|
63.6
|
1.0
|
N
|
D:THR40
|
4.2
|
64.6
|
1.0
|
OD1
|
D:ASP63
|
4.2
|
64.7
|
1.0
|
CG2
|
D:THR40
|
4.3
|
63.5
|
1.0
|
CD
|
D:LYS21
|
4.3
|
63.0
|
1.0
|
CA
|
D:THR40
|
4.3
|
64.2
|
1.0
|
C
|
D:THR64
|
4.4
|
64.5
|
1.0
|
OD2
|
D:ASP63
|
4.5
|
65.9
|
1.0
|
NH1
|
C:ARG105
|
4.5
|
69.1
|
1.0
|
N
|
D:SER22
|
4.6
|
63.1
|
1.0
|
CA
|
D:ALA65
|
4.6
|
65.0
|
1.0
|
O2B
|
D:GDP202
|
4.7
|
67.7
|
1.0
|
CG
|
D:ASP63
|
4.8
|
65.1
|
1.0
|
N
|
D:GLY66
|
4.8
|
65.2
|
1.0
|
CB
|
D:LYS21
|
4.8
|
62.4
|
1.0
|
CA
|
D:SER22
|
4.9
|
63.5
|
1.0
|
O
|
D:THR40
|
4.9
|
64.7
|
1.0
|
N
|
D:ALA65
|
5.0
|
64.9
|
1.0
|
|
Fluorine binding site 5 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 5 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F203
b:75.8
occ:1.00
|
F2
|
D:BEF203
|
0.0
|
75.8
|
1.0
|
BE
|
D:BEF203
|
1.6
|
76.1
|
1.0
|
F3
|
D:BEF203
|
2.5
|
75.8
|
1.0
|
O3B
|
D:GDP202
|
2.6
|
68.0
|
1.0
|
F1
|
D:BEF203
|
2.6
|
76.1
|
1.0
|
N
|
D:GLY66
|
2.9
|
65.2
|
1.0
|
OG
|
D:SER17
|
3.1
|
63.2
|
1.0
|
CA
|
D:SER17
|
3.3
|
62.5
|
1.0
|
CA
|
D:GLY66
|
3.4
|
65.6
|
1.0
|
CB
|
D:SER17
|
3.7
|
63.1
|
1.0
|
NZ
|
D:LYS21
|
3.8
|
64.5
|
1.0
|
C
|
D:ALA65
|
3.8
|
65.2
|
1.0
|
CD
|
D:LYS21
|
3.9
|
63.0
|
1.0
|
O
|
D:ASP16
|
3.9
|
62.0
|
1.0
|
PB
|
D:GDP202
|
3.9
|
67.5
|
1.0
|
CE
|
D:LYS21
|
3.9
|
63.6
|
1.0
|
CA
|
D:ALA65
|
4.0
|
65.0
|
1.0
|
N
|
D:SER17
|
4.0
|
43.4
|
1.0
|
O
|
D:THR64
|
4.1
|
64.4
|
1.0
|
N
|
D:GLY18
|
4.2
|
62.3
|
1.0
|
C
|
D:ASP16
|
4.3
|
62.4
|
1.0
|
O1B
|
D:GDP202
|
4.3
|
67.8
|
1.0
|
C
|
D:SER17
|
4.3
|
62.7
|
1.0
|
MG
|
D:MG201
|
4.4
|
55.6
|
1.0
|
OE1
|
C:GLN144
|
4.5
|
57.1
|
1.0
|
NH1
|
C:ARG105
|
4.6
|
69.1
|
1.0
|
O
|
D:GLY15
|
4.7
|
62.4
|
1.0
|
O2B
|
D:GDP202
|
4.7
|
67.7
|
1.0
|
C
|
D:GLY66
|
4.8
|
66.6
|
1.0
|
C
|
D:THR64
|
4.8
|
64.5
|
1.0
|
N
|
D:ALA65
|
4.8
|
64.9
|
1.0
|
OG1
|
D:THR40
|
4.9
|
62.5
|
1.0
|
O3A
|
D:GDP202
|
4.9
|
66.3
|
1.0
|
O
|
D:ALA65
|
5.0
|
65.8
|
1.0
|
NE2
|
C:GLN144
|
5.0
|
57.4
|
1.0
|
|
Fluorine binding site 6 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 6 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F203
b:75.8
occ:1.00
|
F3
|
D:BEF203
|
0.0
|
75.8
|
1.0
|
BE
|
D:BEF203
|
1.5
|
76.1
|
1.0
|
F2
|
D:BEF203
|
2.5
|
75.8
|
1.0
|
O3B
|
D:GDP202
|
2.5
|
68.0
|
1.0
|
F1
|
D:BEF203
|
2.6
|
76.1
|
1.0
|
NH1
|
C:ARG105
|
2.7
|
69.1
|
1.0
|
MG
|
D:MG201
|
3.0
|
55.6
|
1.0
|
OG
|
D:SER17
|
3.2
|
63.2
|
1.0
|
NH2
|
C:ARG105
|
3.2
|
66.7
|
1.0
|
OE1
|
C:GLN144
|
3.3
|
57.1
|
1.0
|
CZ
|
C:ARG105
|
3.3
|
67.9
|
1.0
|
N
|
D:THR40
|
3.6
|
64.6
|
1.0
|
OG1
|
D:THR40
|
3.8
|
62.5
|
1.0
|
PB
|
D:GDP202
|
3.9
|
67.5
|
1.0
|
CD
|
C:GLN144
|
4.0
|
56.7
|
1.0
|
O3A
|
D:GDP202
|
4.1
|
66.3
|
1.0
|
CB
|
D:THR40
|
4.1
|
63.3
|
1.0
|
NE2
|
C:GLN144
|
4.2
|
57.4
|
1.0
|
O
|
D:THR40
|
4.2
|
64.7
|
1.0
|
CA
|
D:SER39
|
4.2
|
66.2
|
1.0
|
CA
|
D:THR40
|
4.3
|
64.2
|
1.0
|
C
|
D:SER39
|
4.3
|
65.6
|
1.0
|
CB
|
D:SER17
|
4.4
|
63.1
|
1.0
|
CB
|
D:SER39
|
4.4
|
66.7
|
1.0
|
CA
|
D:SER17
|
4.5
|
62.5
|
1.0
|
NE
|
C:ARG105
|
4.5
|
67.8
|
1.0
|
OG
|
D:SER22
|
4.6
|
63.0
|
1.0
|
N
|
D:GLY18
|
4.6
|
62.3
|
1.0
|
N
|
D:GLY66
|
4.6
|
65.2
|
1.0
|
O1B
|
D:GDP202
|
4.6
|
67.8
|
1.0
|
C
|
D:THR40
|
4.7
|
64.8
|
1.0
|
O2B
|
D:GDP202
|
4.9
|
67.7
|
1.0
|
O
|
D:THR64
|
5.0
|
64.4
|
1.0
|
CA
|
D:ALA65
|
5.0
|
65.0
|
1.0
|
|
Fluorine binding site 7 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 7 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F203
b:70.4
occ:1.00
|
F1
|
F:BEF203
|
0.0
|
70.4
|
1.0
|
BE
|
F:BEF203
|
1.5
|
70.9
|
1.0
|
F3
|
F:BEF203
|
2.5
|
71.4
|
1.0
|
F2
|
F:BEF203
|
2.6
|
71.0
|
1.0
|
O2B
|
F:GDP202
|
2.7
|
64.3
|
1.0
|
OG
|
F:SER17
|
2.8
|
60.5
|
1.0
|
OE1
|
E:GLN144
|
3.1
|
58.4
|
1.0
|
NH2
|
E:ARG105
|
3.2
|
59.9
|
1.0
|
NH1
|
E:ARG105
|
3.2
|
61.5
|
1.0
|
CA
|
F:SER17
|
3.5
|
59.1
|
1.0
|
CB
|
F:SER17
|
3.5
|
60.1
|
1.0
|
N
|
F:GLY18
|
3.6
|
58.3
|
1.0
|
CZ
|
E:ARG105
|
3.6
|
60.7
|
1.0
|
N
|
F:GLY66
|
3.6
|
62.3
|
1.0
|
NE2
|
E:GLN144
|
3.8
|
56.6
|
1.0
|
CD
|
E:GLN144
|
3.8
|
56.6
|
1.0
|
C
|
F:SER17
|
4.0
|
58.7
|
1.0
|
CA
|
F:GLY66
|
4.0
|
62.2
|
1.0
|
PB
|
F:GDP202
|
4.0
|
64.1
|
1.0
|
MG
|
F:MG201
|
4.4
|
61.8
|
1.0
|
NZ
|
F:LYS21
|
4.5
|
59.1
|
1.0
|
O3A
|
F:GDP202
|
4.5
|
63.7
|
1.0
|
O3B
|
F:GDP202
|
4.5
|
64.2
|
1.0
|
CA
|
F:GLY18
|
4.7
|
58.3
|
1.0
|
N
|
F:SER17
|
4.7
|
43.3
|
1.0
|
C
|
F:ALA65
|
4.8
|
62.9
|
1.0
|
C
|
F:GLY66
|
4.8
|
63.1
|
1.0
|
O
|
F:THR40
|
4.8
|
64.0
|
1.0
|
N
|
F:THR40
|
4.9
|
63.0
|
1.0
|
N
|
F:GLN67
|
4.9
|
64.0
|
1.0
|
NE
|
E:ARG105
|
5.0
|
60.7
|
1.0
|
CD2
|
E:LEU101
|
5.0
|
58.7
|
1.0
|
OE1
|
E:GLN98
|
5.0
|
53.7
|
1.0
|
|
Fluorine binding site 8 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 8 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F203
b:71.0
occ:1.00
|
F2
|
F:BEF203
|
0.0
|
71.0
|
1.0
|
BE
|
F:BEF203
|
1.6
|
70.9
|
1.0
|
MG
|
F:MG201
|
2.3
|
61.8
|
1.0
|
F3
|
F:BEF203
|
2.5
|
71.4
|
1.0
|
F1
|
F:BEF203
|
2.6
|
70.4
|
1.0
|
OG1
|
F:THR40
|
2.9
|
62.0
|
1.0
|
NH1
|
E:ARG105
|
2.9
|
61.5
|
1.0
|
O2B
|
F:GDP202
|
2.9
|
64.3
|
1.0
|
N
|
F:THR40
|
3.0
|
63.0
|
1.0
|
O3B
|
F:GDP202
|
3.1
|
64.2
|
1.0
|
CB
|
F:THR40
|
3.3
|
62.6
|
1.0
|
PB
|
F:GDP202
|
3.5
|
64.1
|
1.0
|
CA
|
F:THR40
|
3.7
|
63.5
|
1.0
|
CZ
|
E:ARG105
|
3.8
|
60.7
|
1.0
|
O3A
|
F:GDP202
|
3.9
|
63.7
|
1.0
|
C
|
F:SER39
|
4.0
|
63.7
|
1.0
|
NH2
|
E:ARG105
|
4.0
|
59.9
|
1.0
|
OG
|
F:SER22
|
4.1
|
59.6
|
1.0
|
CA
|
F:SER39
|
4.1
|
63.6
|
1.0
|
O
|
F:THR40
|
4.1
|
64.0
|
1.0
|
C
|
F:THR40
|
4.4
|
64.3
|
1.0
|
NE2
|
E:GLN144
|
4.4
|
56.6
|
1.0
|
O2A
|
F:GDP202
|
4.6
|
63.6
|
1.0
|
O
|
F:THR64
|
4.7
|
62.0
|
1.0
|
CG2
|
F:THR40
|
4.7
|
63.3
|
1.0
|
O
|
F:ILE38
|
4.7
|
63.6
|
1.0
|
CB
|
F:SER39
|
4.8
|
64.1
|
1.0
|
NE
|
E:ARG105
|
4.8
|
60.7
|
1.0
|
O1B
|
F:GDP202
|
4.9
|
64.2
|
1.0
|
N
|
F:GLY66
|
4.9
|
62.3
|
1.0
|
PA
|
F:GDP202
|
4.9
|
63.3
|
1.0
|
OE1
|
E:GLN144
|
4.9
|
58.4
|
1.0
|
|
Fluorine binding site 9 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 9 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F203
b:71.4
occ:1.00
|
F3
|
F:BEF203
|
0.0
|
71.4
|
1.0
|
BE
|
F:BEF203
|
1.5
|
70.9
|
1.0
|
O2B
|
F:GDP202
|
2.5
|
64.3
|
1.0
|
F2
|
F:BEF203
|
2.5
|
71.0
|
1.0
|
F1
|
F:BEF203
|
2.5
|
70.4
|
1.0
|
NZ
|
F:LYS21
|
2.6
|
59.1
|
1.0
|
N
|
F:GLY66
|
3.0
|
62.3
|
1.0
|
MG
|
F:MG201
|
3.0
|
61.8
|
1.0
|
O
|
F:THR64
|
3.2
|
62.0
|
1.0
|
O3B
|
F:GDP202
|
3.3
|
64.2
|
1.0
|
PB
|
F:GDP202
|
3.3
|
64.1
|
1.0
|
CE
|
F:LYS21
|
3.6
|
58.6
|
1.0
|
CA
|
F:GLY66
|
3.6
|
62.2
|
1.0
|
C
|
F:ALA65
|
3.8
|
62.9
|
1.0
|
CA
|
F:ALA65
|
3.8
|
63.1
|
1.0
|
OG1
|
F:THR40
|
4.1
|
62.0
|
1.0
|
CB
|
F:THR40
|
4.2
|
62.6
|
1.0
|
C
|
F:THR64
|
4.2
|
62.7
|
1.0
|
O1B
|
F:GDP202
|
4.2
|
64.2
|
1.0
|
N
|
F:ALA65
|
4.5
|
63.3
|
1.0
|
CD
|
F:LYS21
|
4.5
|
58.1
|
1.0
|
CA
|
F:SER17
|
4.5
|
59.1
|
1.0
|
O3A
|
F:GDP202
|
4.6
|
63.7
|
1.0
|
O
|
F:ASP16
|
4.6
|
57.8
|
1.0
|
N
|
F:GLY18
|
4.6
|
58.3
|
1.0
|
NH1
|
E:ARG105
|
4.6
|
61.5
|
1.0
|
OG
|
F:SER22
|
4.8
|
59.6
|
1.0
|
O
|
F:ALA65
|
4.9
|
63.4
|
1.0
|
O
|
F:THR40
|
4.9
|
64.0
|
1.0
|
OD1
|
F:ASP63
|
5.0
|
62.8
|
1.0
|
OE1
|
E:GLN144
|
5.0
|
58.4
|
1.0
|
OG
|
F:SER17
|
5.0
|
60.5
|
1.0
|
|
Fluorine binding site 10 out
of 15 in 4hlq
Go back to
Fluorine Binding Sites List in 4hlq
Fluorine binding site 10 out
of 15 in the Crystal Structure of Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens
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 Human RAB1B Bound to Gdp and BEF3 in Complex with the Gap Domain of TBC1D20 From Homo Sapiens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F203
b:0.7
occ:1.00
|
F1
|
H:BEF203
|
0.0
|
0.7
|
1.0
|
BE
|
H:BEF203
|
1.5
|
0.4
|
1.0
|
F3
|
H:BEF203
|
2.5
|
0.9
|
1.0
|
F2
|
H:BEF203
|
2.6
|
0.6
|
1.0
|
MG
|
H:MG201
|
2.7
|
61.3
|
1.0
|
O2B
|
H:GDP202
|
2.8
|
80.3
|
1.0
|
N
|
H:THR40
|
3.1
|
94.9
|
1.0
|
OE1
|
G:GLN144
|
3.1
|
81.8
|
1.0
|
NH1
|
G:ARG105
|
3.2
|
90.6
|
1.0
|
OG1
|
H:THR40
|
3.5
|
94.7
|
1.0
|
O
|
H:THR40
|
3.6
|
93.2
|
1.0
|
CB
|
H:THR40
|
3.6
|
94.6
|
1.0
|
O3B
|
H:GDP202
|
3.8
|
80.8
|
1.0
|
CA
|
H:THR40
|
3.8
|
95.4
|
1.0
|
PB
|
H:GDP202
|
3.8
|
80.5
|
1.0
|
C
|
H:SER39
|
4.0
|
96.5
|
1.0
|
CZ
|
G:ARG105
|
4.1
|
89.5
|
1.0
|
CA
|
H:SER39
|
4.1
|
96.2
|
1.0
|
C
|
H:THR40
|
4.1
|
94.8
|
1.0
|
NH2
|
G:ARG105
|
4.2
|
88.3
|
1.0
|
CD
|
G:GLN144
|
4.2
|
81.1
|
1.0
|
N
|
H:GLY66
|
4.4
|
90.3
|
1.0
|
CB
|
H:SER39
|
4.5
|
95.7
|
1.0
|
O
|
H:THR64
|
4.7
|
94.6
|
1.0
|
NE2
|
G:GLN144
|
4.7
|
81.0
|
1.0
|
CB
|
H:SER17
|
4.7
|
89.5
|
1.0
|
CA
|
H:ALA65
|
4.7
|
93.0
|
1.0
|
O1A
|
H:GDP202
|
4.7
|
77.8
|
1.0
|
OG
|
H:SER22
|
4.8
|
97.7
|
1.0
|
O3A
|
H:GDP202
|
4.8
|
79.1
|
1.0
|
O1B
|
H:GDP202
|
4.9
|
80.2
|
1.0
|
|
Reference:
K.Gavriljuk,
E.M.Gazdag,
A.Itzen,
C.Kotting,
R.S.Goody,
K.Gerwert.
Catalytic Mechanism of A Mammalian Rab-Rabgap Complex in Atomic Detail. Proc.Natl.Acad.Sci.Usa V. 109 21348 2012.
ISSN: ISSN 0027-8424
PubMed: 23236136
DOI: 10.1073/PNAS.1214431110
Page generated: Thu Aug 1 02:06:03 2024
|