Fluorine in PDB 3lvr: The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium
Protein crystallography data
The structure of The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium, PDB code: 3lvr
was solved by
S.A.Ismail,
I.R.Vetter,
B.Sot,
A.Wittinghofer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.46 /
3.38
|
Space group
|
P 62
|
Cell size a, b, c (Å), α, β, γ (°)
|
146.450,
146.450,
49.620,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
20.7 /
28.1
|
Other elements in 3lvr:
The structure of The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium
(pdb code 3lvr). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the
The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium, PDB code: 3lvr:
Jump to Fluorine binding site number:
1;
2;
3;
Fluorine binding site 1 out
of 3 in 3lvr
Go back to
Fluorine Binding Sites List in 3lvr
Fluorine binding site 1 out
of 3 in the The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F738
b:80.5
occ:1.00
|
F1
|
E:AF3738
|
0.0
|
80.5
|
1.0
|
AL
|
E:AF3738
|
1.7
|
80.9
|
1.0
|
O
|
E:HOH230
|
2.4
|
78.0
|
1.0
|
NZ
|
E:LYS26
|
2.5
|
74.1
|
1.0
|
N
|
E:GLY66
|
2.6
|
83.7
|
1.0
|
O3B
|
E:GDP737
|
2.8
|
80.0
|
1.0
|
F3
|
E:AF3738
|
2.9
|
82.2
|
1.0
|
F2
|
E:AF3738
|
3.0
|
79.9
|
1.0
|
CA
|
E:GLY65
|
3.2
|
86.7
|
1.0
|
C
|
E:GLY65
|
3.3
|
85.5
|
1.0
|
OE1
|
E:GLN67
|
3.4
|
84.4
|
1.0
|
MG
|
E:MG736
|
3.5
|
90.9
|
1.0
|
CA
|
E:GLY66
|
3.6
|
82.8
|
1.0
|
O1B
|
E:GDP737
|
3.6
|
80.6
|
1.0
|
CA
|
E:ASP22
|
3.6
|
80.1
|
1.0
|
CE
|
E:LYS26
|
3.7
|
72.4
|
1.0
|
PB
|
E:GDP737
|
3.7
|
80.2
|
1.0
|
C
|
E:GLY66
|
4.1
|
83.6
|
1.0
|
O2B
|
E:GDP737
|
4.1
|
80.5
|
1.0
|
N
|
E:ALA23
|
4.2
|
80.2
|
1.0
|
O
|
E:LEU21
|
4.3
|
77.3
|
1.0
|
N
|
E:ASP22
|
4.3
|
79.4
|
1.0
|
CB
|
E:ASP22
|
4.3
|
82.5
|
1.0
|
C
|
E:ASP22
|
4.4
|
79.9
|
1.0
|
N
|
E:GLY65
|
4.5
|
88.2
|
1.0
|
O
|
E:VAL64
|
4.5
|
85.3
|
1.0
|
N
|
E:GLN67
|
4.5
|
85.2
|
1.0
|
O
|
E:GLY65
|
4.5
|
86.8
|
1.0
|
CD
|
E:GLN67
|
4.5
|
86.5
|
1.0
|
C
|
E:LEU21
|
4.6
|
78.1
|
1.0
|
OG1
|
E:THR44
|
4.7
|
87.6
|
1.0
|
NH2
|
E:ARG469
|
4.7
|
93.0
|
1.0
|
O
|
E:GLY66
|
4.8
|
83.3
|
1.0
|
CD
|
E:LYS26
|
4.9
|
72.8
|
1.0
|
C
|
E:VAL64
|
4.9
|
87.4
|
1.0
|
O
|
E:THR44
|
4.9
|
90.0
|
1.0
|
O
|
E:GLY20
|
4.9
|
78.7
|
1.0
|
|
Fluorine binding site 2 out
of 3 in 3lvr
Go back to
Fluorine Binding Sites List in 3lvr
Fluorine binding site 2 out
of 3 in the The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F738
b:79.9
occ:1.00
|
F2
|
E:AF3738
|
0.0
|
79.9
|
1.0
|
AL
|
E:AF3738
|
1.7
|
80.9
|
1.0
|
MG
|
E:MG736
|
1.7
|
90.9
|
1.0
|
OG1
|
E:THR44
|
2.3
|
87.6
|
1.0
|
O
|
E:HOH230
|
2.3
|
78.0
|
1.0
|
O3B
|
E:GDP737
|
2.4
|
80.0
|
1.0
|
O
|
E:HOH220
|
2.4
|
73.8
|
1.0
|
O2B
|
E:GDP737
|
2.7
|
80.5
|
1.0
|
F3
|
E:AF3738
|
2.9
|
82.2
|
1.0
|
F1
|
E:AF3738
|
3.0
|
80.5
|
1.0
|
N
|
E:THR44
|
3.0
|
91.3
|
1.0
|
PB
|
E:GDP737
|
3.1
|
80.2
|
1.0
|
CB
|
E:THR44
|
3.5
|
91.3
|
1.0
|
OG1
|
E:THR27
|
3.6
|
82.7
|
1.0
|
CA
|
E:THR44
|
3.7
|
92.7
|
1.0
|
NH2
|
E:ARG469
|
3.8
|
93.0
|
1.0
|
NZ
|
E:LYS26
|
4.0
|
74.1
|
1.0
|
O
|
E:THR44
|
4.0
|
90.0
|
1.0
|
C
|
E:PRO43
|
4.1
|
94.1
|
1.0
|
O1B
|
E:GDP737
|
4.1
|
80.6
|
1.0
|
CA
|
E:PRO43
|
4.2
|
93.3
|
1.0
|
CA
|
E:GLY65
|
4.2
|
86.7
|
1.0
|
O3A
|
E:GDP737
|
4.3
|
80.8
|
1.0
|
O2A
|
E:GDP737
|
4.3
|
80.9
|
1.0
|
C
|
E:THR44
|
4.3
|
92.8
|
1.0
|
CG2
|
E:THR44
|
4.4
|
93.8
|
1.0
|
OE1
|
E:GLN67
|
4.5
|
84.4
|
1.0
|
CB
|
E:THR27
|
4.8
|
84.7
|
1.0
|
PA
|
E:GDP737
|
4.8
|
80.6
|
1.0
|
O
|
E:ILE42
|
4.9
|
96.9
|
1.0
|
CZ
|
E:ARG469
|
5.0
|
91.0
|
1.0
|
|
Fluorine binding site 3 out
of 3 in 3lvr
Go back to
Fluorine Binding Sites List in 3lvr
Fluorine binding site 3 out
of 3 in the The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State Soaked with Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F738
b:82.2
occ:1.00
|
F3
|
E:AF3738
|
0.0
|
82.2
|
1.0
|
AL
|
E:AF3738
|
1.7
|
80.9
|
1.0
|
NH2
|
E:ARG469
|
2.4
|
93.0
|
1.0
|
O3B
|
E:GDP737
|
2.6
|
80.0
|
1.0
|
OE1
|
E:GLN67
|
2.6
|
84.4
|
1.0
|
O
|
E:HOH230
|
2.7
|
78.0
|
1.0
|
F1
|
E:AF3738
|
2.9
|
80.5
|
1.0
|
F2
|
E:AF3738
|
2.9
|
79.9
|
1.0
|
CZ
|
E:ARG469
|
3.6
|
91.0
|
1.0
|
CD
|
E:GLN67
|
3.6
|
86.5
|
1.0
|
N
|
E:ALA23
|
3.6
|
80.2
|
1.0
|
NE2
|
E:GLN67
|
3.8
|
88.2
|
1.0
|
CB
|
E:ASP22
|
3.9
|
82.5
|
1.0
|
CB
|
E:PRO43
|
3.9
|
94.0
|
1.0
|
CA
|
E:PRO43
|
4.0
|
93.3
|
1.0
|
CA
|
E:ASP22
|
4.0
|
80.1
|
1.0
|
NE
|
E:ARG469
|
4.0
|
87.7
|
1.0
|
PB
|
E:GDP737
|
4.1
|
80.2
|
1.0
|
N
|
E:THR44
|
4.2
|
91.3
|
1.0
|
C
|
E:ASP22
|
4.3
|
79.9
|
1.0
|
O
|
E:HOH220
|
4.4
|
73.8
|
1.0
|
C
|
E:PRO43
|
4.5
|
94.1
|
1.0
|
MG
|
E:MG736
|
4.5
|
90.9
|
1.0
|
CA
|
E:ALA23
|
4.5
|
81.0
|
1.0
|
NH1
|
E:ARG469
|
4.6
|
93.3
|
1.0
|
O2B
|
E:GDP737
|
4.7
|
80.5
|
1.0
|
O1B
|
E:GDP737
|
4.8
|
80.6
|
1.0
|
O3A
|
E:GDP737
|
4.8
|
80.8
|
1.0
|
N
|
E:GLY66
|
4.8
|
83.7
|
1.0
|
CG
|
E:PRO43
|
4.9
|
96.8
|
1.0
|
CG
|
E:GLN67
|
5.0
|
88.7
|
1.0
|
O
|
E:THR44
|
5.0
|
90.0
|
1.0
|
|
Reference:
S.A.Ismail,
I.R.Vetter,
B.Sot,
A.Wittinghofer.
The Structure of An Arf-Arfgap Complex Reveals A CA2+ Regulatory Mechanism Cell(Cambridge,Mass.) V. 141 812 2010.
ISSN: ISSN 0092-8674
PubMed: 20510928
DOI: 10.1016/J.CELL.2010.03.051
Page generated: Wed Jul 31 20:37:18 2024
|