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Fluorine in PDB 3lvq: The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State

Protein crystallography data

The structure of The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State, PDB code: 3lvq 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) 29.42 / 3.38
Space group P 62
Cell size a, b, c (Å), α, β, γ (°) 146.290, 146.290, 49.520, 90.00, 90.00, 120.00
R / Rfree (%) 21.9 / 25.7

Other elements in 3lvq:

The structure of The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 1 atom
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State (pdb code 3lvq). 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, PDB code: 3lvq:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3lvq

Go back to Fluorine Binding Sites List in 3lvq
Fluorine binding site 1 out of 3 in the The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F683

b:81.8
occ:1.00
F1 E:AF3683 0.0 81.8 1.0
AL E:AF3683 1.7 79.3 1.0
NZ E:LYS26 1.8 0.3 1.0
O E:HOH230 2.2 54.4 1.0
O1B E:GDP682 2.5 62.3 1.0
F3 E:AF3683 2.8 71.0 1.0
O3B E:GDP682 2.8 57.4 1.0
F2 E:AF3683 3.0 71.0 1.0
CE E:LYS26 3.0 0.8 1.0
MG E:MG681 3.0 51.0 1.0
N E:GLY66 3.1 0.3 1.0
PB E:GDP682 3.2 58.0 1.0
O2B E:GDP682 3.6 48.7 1.0
N E:ALA23 3.8 0.2 1.0
CA E:GLY66 3.9 0.5 1.0
CA E:ASP22 3.9 0.9 1.0
CA E:GLY65 3.9 0.5 1.0
C E:GLY65 3.9 0.1 1.0
O E:LEU21 4.2 0.3 1.0
OG1 E:THR44 4.2 0.9 1.0
O E:VAL64 4.2 1.0 1.0
OE1 E:GLN67 4.2 0.1 1.0
CD E:LYS26 4.3 0.4 1.0
C E:ASP22 4.3 0.3 1.0
NH2 E:ARG469 4.3 0.7 1.0
N E:ASP22 4.5 0.9 1.0
CB E:LYS26 4.6 0.6 1.0
C E:LEU21 4.6 0.3 1.0
O3A E:GDP682 4.7 54.7 1.0
CG E:LYS26 4.7 0.0 1.0
O E:HOH220 4.8 57.1 1.0
CA E:ALA23 4.8 0.8 1.0
CB E:ASP22 4.8 0.9 1.0
N E:GLY65 4.9 0.3 1.0
N E:ALA24 4.9 0.7 1.0
C E:VAL64 4.9 0.9 1.0
C E:GLY66 4.9 0.0 1.0
O E:GLY20 5.0 0.7 1.0

Fluorine binding site 2 out of 3 in 3lvq

Go back to Fluorine Binding Sites List in 3lvq
Fluorine binding site 2 out of 3 in the The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F683

b:71.0
occ:1.00
F2 E:AF3683 0.0 71.0 1.0
AL E:AF3683 1.7 79.3 1.0
O E:HOH230 1.8 54.4 1.0
MG E:MG681 2.0 51.0 1.0
OG1 E:THR44 2.1 0.9 1.0
O3B E:GDP682 2.4 57.4 1.0
N E:THR44 2.7 0.8 1.0
O E:HOH220 2.7 57.1 1.0
F3 E:AF3683 3.0 71.0 1.0
F1 E:AF3683 3.0 81.8 1.0
CB E:THR44 3.3 0.7 1.0
CA E:THR44 3.4 0.9 1.0
NH2 E:ARG469 3.5 0.7 1.0
C E:PRO43 3.6 0.9 1.0
PB E:GDP682 3.7 58.0 1.0
O2B E:GDP682 3.7 48.7 1.0
CA E:PRO43 3.7 0.3 1.0
O E:THR44 3.8 0.3 1.0
OE1 E:GLN67 4.0 0.1 1.0
C E:THR44 4.0 0.1 1.0
CG2 E:THR44 4.2 0.4 1.0
NZ E:LYS26 4.3 0.3 1.0
O1B E:GDP682 4.3 62.3 1.0
OG1 E:THR27 4.3 0.1 1.0
O E:ILE42 4.4 0.3 1.0
O2A E:GDP682 4.4 61.7 1.0
CZ E:ARG469 4.4 0.0 1.0
CA E:GLY65 4.5 0.5 1.0
NH1 E:ARG469 4.5 0.3 1.0
CB E:PRO43 4.7 0.7 1.0
O E:PRO43 4.8 0.4 1.0
N E:PRO43 4.8 0.5 1.0
N E:GLY66 4.9 0.3 1.0
O3A E:GDP682 4.9 54.7 1.0

Fluorine binding site 3 out of 3 in 3lvq

Go back to Fluorine Binding Sites List in 3lvq
Fluorine binding site 3 out of 3 in the The Crystal Structure of ASAP3 in Complex with ARF6 in Transition State


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F683

b:71.0
occ:1.00
F3 E:AF3683 0.0 71.0 1.0
AL E:AF3683 1.7 79.3 1.0
NH2 E:ARG469 2.4 0.7 1.0
OE1 E:GLN67 2.5 0.1 1.0
O E:HOH230 2.8 54.4 1.0
F1 E:AF3683 2.8 81.8 1.0
F2 E:AF3683 3.0 71.0 1.0
O3B E:GDP682 3.1 57.4 1.0
CD E:GLN67 3.3 0.5 1.0
N E:ALA23 3.3 0.2 1.0
NE2 E:GLN67 3.4 0.8 1.0
CA E:ASP22 3.4 0.9 1.0
CB E:ASP22 3.4 0.9 1.0
CZ E:ARG469 3.7 0.0 1.0
C E:ASP22 3.9 0.3 1.0
N E:GLY66 3.9 0.3 1.0
O1B E:GDP682 4.2 62.3 1.0
PB E:GDP682 4.3 58.0 1.0
NE E:ARG469 4.4 0.2 1.0
CA E:ALA23 4.4 0.8 1.0
MG E:MG681 4.4 51.0 1.0
CA E:GLY66 4.5 0.5 1.0
NZ E:LYS26 4.6 0.3 1.0
N E:ASP22 4.6 0.9 1.0
NH1 E:ARG469 4.6 0.3 1.0
CA E:PRO43 4.7 0.3 1.0
CG E:GLN67 4.7 0.6 1.0
N E:GLN67 4.7 0.5 1.0
CB E:PRO43 4.7 0.7 1.0
N E:THR44 4.8 0.8 1.0
C E:GLY66 4.8 0.0 1.0
C E:GLY65 4.9 0.1 1.0
CG E:ASP22 4.9 0.6 1.0
OG1 E:THR44 4.9 0.9 1.0
CA E:GLY65 5.0 0.5 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: Sun Dec 13 11:50:38 2020

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