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Fluorine in PDB 4lx0: Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A

Protein crystallography data

The structure of Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A, PDB code: 4lx0 was solved by O.Pylypenko, W.Attanda, C.Gauquelin, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.50 / 2.19
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.100, 125.920, 157.660, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.8

Other elements in 4lx0:

The structure of Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A (pdb code 4lx0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A, PDB code: 4lx0:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 4lx0

Go back to Fluorine Binding Sites List in 4lx0
Fluorine binding site 1 out of 6 in the Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A


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 MYO5B Globular Tail Domain in Complex with Active RAB11A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:42.4
occ:1.00
F1 A:BEF202 0.0 42.4 1.0
BE A:BEF202 1.4 44.1 1.0
F3 A:BEF202 2.3 45.6 1.0
F2 A:BEF202 2.4 43.6 1.0
O3B A:GDP203 2.5 40.4 1.0
NZ A:LYS24 2.8 46.2 1.0
N A:GLY69 2.8 42.2 1.0
O A:HOH320 3.3 47.9 1.0
CA A:SER20 3.3 51.4 1.0
CA A:GLY69 3.4 42.4 1.0
PB A:GDP203 3.5 43.0 1.0
CE A:LYS24 3.6 47.5 1.0
O2B A:GDP203 3.7 39.5 1.0
O A:HOH303 3.8 38.3 1.0
O1B A:GDP203 3.8 38.5 1.0
C A:ALA68 3.9 49.6 1.0
CB A:SER20 3.9 57.6 1.0
OG A:SER20 4.0 59.7 1.0
MG A:MG201 4.0 43.0 1.0
O A:THR67 4.0 36.0 1.0
N A:SER20 4.1 43.8 1.0
N A:GLY21 4.2 46.9 1.0
O A:ASP19 4.2 38.5 1.0
CA A:ALA68 4.2 41.3 1.0
C A:GLY69 4.3 51.6 1.0
C A:SER20 4.3 44.1 1.0
N A:GLN70 4.3 61.1 1.0
C A:ASP19 4.4 46.9 1.0
O A:GLY18 4.6 41.1 1.0
CB A:THR43 4.9 49.8 1.0
O A:ALA68 4.9 48.9 1.0
O3A A:GDP203 4.9 43.6 1.0
C A:THR67 5.0 41.2 1.0
N A:THR43 5.0 45.7 1.0
OG1 A:THR43 5.0 47.9 1.0

Fluorine binding site 2 out of 6 in 4lx0

Go back to Fluorine Binding Sites List in 4lx0
Fluorine binding site 2 out of 6 in the Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A


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 MYO5B Globular Tail Domain in Complex with Active RAB11A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:43.6
occ:1.00
F2 A:BEF202 0.0 43.6 1.0
BE A:BEF202 1.4 44.1 1.0
F3 A:BEF202 2.3 45.6 1.0
F1 A:BEF202 2.4 42.4 1.0
O3B A:GDP203 2.5 40.4 1.0
O A:HOH320 2.6 47.9 1.0
OG A:SER20 2.8 59.7 1.0
O A:HOH433 2.8 69.0 1.0
CB A:SER20 3.5 57.6 1.0
CA A:SER20 3.7 51.4 1.0
OG A:SER42 3.8 60.1 1.0
CA A:SER42 3.8 55.2 1.0
CB A:SER42 3.8 59.0 1.0
N A:THR43 3.9 45.7 1.0
PB A:GDP203 4.0 43.0 1.0
N A:GLY21 4.0 46.9 1.0
NE2 A:GLN70 4.2 66.0 1.0
C A:SER20 4.3 44.1 1.0
N A:GLY69 4.4 42.2 1.0
C A:SER42 4.4 45.0 1.0
MG A:MG201 4.4 43.0 1.0
O A:HOH311 4.4 42.1 1.0
O1B A:GDP203 4.4 38.5 1.0
CG A:GLN70 4.5 64.5 1.0
N A:GLN70 4.6 61.1 1.0
O A:HOH372 4.7 70.0 1.0
O A:THR43 4.8 48.7 1.0
O2B A:GDP203 4.8 39.5 1.0
CD A:GLN70 4.9 64.5 1.0
O3A A:GDP203 4.9 43.6 1.0
CA A:GLY69 4.9 42.4 1.0
N A:SER20 5.0 43.8 1.0
CA A:THR43 5.0 43.8 1.0
CB A:THR43 5.0 49.8 1.0
N A:SER42 5.0 57.8 1.0

Fluorine binding site 3 out of 6 in 4lx0

Go back to Fluorine Binding Sites List in 4lx0
Fluorine binding site 3 out of 6 in the Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A


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 MYO5B Globular Tail Domain in Complex with Active RAB11A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:45.6
occ:1.00
F3 A:BEF202 0.0 45.6 1.0
BE A:BEF202 1.4 44.1 1.0
MG A:MG201 2.2 43.0 1.0
F1 A:BEF202 2.3 42.4 1.0
F2 A:BEF202 2.3 43.6 1.0
O3B A:GDP203 2.5 40.4 1.0
O1B A:GDP203 2.9 38.5 1.0
OG1 A:THR43 2.9 47.9 1.0
O A:HOH311 3.0 42.1 1.0
O A:HOH303 3.0 38.3 1.0
N A:THR43 3.0 45.7 1.0
CB A:THR43 3.1 49.8 1.0
PB A:GDP203 3.2 43.0 1.0
O A:HOH320 3.4 47.9 1.0
CA A:THR43 3.7 43.8 1.0
C A:SER42 4.0 45.0 1.0
CA A:SER42 4.1 55.2 1.0
OG A:SER25 4.2 46.7 1.0
O2B A:GDP203 4.2 39.5 1.0
O A:THR67 4.4 36.0 1.0
O A:THR43 4.4 48.7 1.0
NZ A:LYS24 4.4 46.2 1.0
N A:GLY69 4.4 42.2 1.0
O A:HOH433 4.4 69.0 1.0
CG2 A:THR43 4.5 39.8 1.0
O3A A:GDP203 4.5 43.6 1.0
C A:THR43 4.5 48.6 1.0
CA A:ALA68 4.7 41.3 1.0
O2A A:GDP203 4.8 44.6 1.0
CB A:SER42 4.8 59.0 1.0
CE A:LYS24 4.8 47.5 1.0
O A:LYS41 4.9 50.1 1.0
OG A:SER20 5.0 59.7 1.0

Fluorine binding site 4 out of 6 in 4lx0

Go back to Fluorine Binding Sites List in 4lx0
Fluorine binding site 4 out of 6 in the Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A


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 MYO5B Globular Tail Domain in Complex with Active RAB11A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F202

b:49.3
occ:1.00
F1 C:BEF202 0.0 49.3 1.0
BE C:BEF202 1.4 50.9 1.0
F3 C:BEF202 2.2 54.7 1.0
F2 C:BEF202 2.3 52.3 1.0
O3B C:GDP203 2.6 61.2 1.0
N C:GLY69 2.8 64.2 1.0
NZ C:LYS24 2.9 55.2 1.0
CA C:GLY69 3.3 63.7 1.0
O C:HOH305 3.3 64.5 1.0
CA C:SER20 3.3 59.1 1.0
PB C:GDP203 3.5 52.4 1.0
CE C:LYS24 3.6 64.4 1.0
O C:HOH336 3.7 52.0 1.0
O2B C:GDP203 3.7 47.3 1.0
C C:ALA68 3.8 62.3 1.0
CB C:SER20 3.9 63.3 1.0
O1B C:GDP203 3.9 50.8 1.0
OG C:SER20 4.0 73.9 1.0
N C:SER20 4.0 58.7 1.0
MG C:MG201 4.0 58.2 1.0
O C:THR67 4.1 62.9 1.0
CA C:ALA68 4.2 52.2 1.0
N C:GLY21 4.2 50.2 1.0
O C:ASP19 4.2 50.4 1.0
C C:SER20 4.3 53.8 1.0
N C:GLN70 4.3 81.7 1.0
C C:GLY69 4.3 76.2 1.0
C C:ASP19 4.4 62.1 1.0
O C:GLY18 4.7 59.5 1.0
O C:ALA68 4.9 65.2 1.0
N C:THR43 4.9 64.8 1.0
O3A C:GDP203 5.0 51.3 1.0
C C:THR67 5.0 59.8 1.0

Fluorine binding site 5 out of 6 in 4lx0

Go back to Fluorine Binding Sites List in 4lx0
Fluorine binding site 5 out of 6 in the Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A


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 MYO5B Globular Tail Domain in Complex with Active RAB11A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F202

b:52.3
occ:1.00
F2 C:BEF202 0.0 52.3 1.0
BE C:BEF202 1.4 50.9 1.0
F1 C:BEF202 2.3 49.3 1.0
F3 C:BEF202 2.3 54.7 1.0
O3B C:GDP203 2.6 61.2 1.0
OG C:SER20 2.6 73.9 1.0
O C:HOH305 2.6 64.5 1.0
O C:HOH302 3.2 85.8 1.0
OG C:SER42 3.2 83.2 1.0
CB C:SER20 3.3 63.3 1.0
CA C:SER20 3.5 59.1 1.0
CB C:SER42 3.8 72.3 1.0
CA C:SER42 3.8 64.8 1.0
N C:GLY21 3.9 50.2 1.0
N C:THR43 4.0 64.8 1.0
PB C:GDP203 4.0 52.4 1.0
C C:SER20 4.2 53.8 1.0
NE2 C:GLN70 4.2 75.8 1.0
N C:GLY69 4.3 64.2 1.0
CG C:GLN70 4.4 74.3 1.0
C C:SER42 4.4 66.3 1.0
MG C:MG201 4.4 58.2 1.0
N C:GLN70 4.5 81.7 1.0
O1B C:GDP203 4.5 50.8 1.0
O C:HOH339 4.6 56.5 1.0
CA C:GLY69 4.8 63.7 1.0
N C:SER20 4.8 58.7 1.0
CD C:GLN70 4.8 78.2 1.0
O2B C:GDP203 4.8 47.3 1.0
O C:THR43 4.9 61.6 1.0
O3A C:GDP203 5.0 51.3 1.0

Fluorine binding site 6 out of 6 in 4lx0

Go back to Fluorine Binding Sites List in 4lx0
Fluorine binding site 6 out of 6 in the Crystal Structure of MYO5B Globular Tail Domain in Complex with Active RAB11A


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 MYO5B Globular Tail Domain in Complex with Active RAB11A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F202

b:54.7
occ:1.00
F3 C:BEF202 0.0 54.7 1.0
BE C:BEF202 1.4 50.9 1.0
MG C:MG201 2.2 58.2 1.0
F1 C:BEF202 2.2 49.3 1.0
F2 C:BEF202 2.3 52.3 1.0
O3B C:GDP203 2.7 61.2 1.0
O C:HOH336 3.0 52.0 1.0
N C:THR43 3.0 64.8 1.0
O1B C:GDP203 3.1 50.8 1.0
O C:HOH339 3.1 56.5 1.0
CB C:THR43 3.2 57.9 1.0
O C:HOH305 3.3 64.5 1.0
OG1 C:THR43 3.3 58.7 1.0
PB C:GDP203 3.4 52.4 1.0
CA C:THR43 3.7 53.0 1.0
C C:SER42 4.0 66.3 1.0
CA C:SER42 4.1 64.8 1.0
N C:GLY69 4.2 64.2 1.0
O2B C:GDP203 4.3 47.3 1.0
OG C:SER25 4.3 55.5 1.0
O C:THR43 4.3 61.6 1.0
O C:THR67 4.3 62.9 1.0
O C:HOH302 4.4 85.8 1.0
CA C:ALA68 4.4 52.2 1.0
C C:THR43 4.5 59.4 1.0
NZ C:LYS24 4.5 55.2 1.0
CG2 C:THR43 4.6 53.1 1.0
O3A C:GDP203 4.7 51.3 1.0
CB C:SER42 4.7 72.3 1.0
OG C:SER42 4.8 83.2 1.0
CE C:LYS24 4.8 64.4 1.0
C C:ALA68 4.8 62.3 1.0
O2A C:GDP203 4.8 65.2 1.0
OG C:SER20 4.9 73.9 1.0
O C:LYS41 4.9 68.7 1.0

Reference:

O.Pylypenko, W.Attanda, C.Gauquelin, M.Lahmani, D.Coulibaly, B.Baron, S.Hoos, M.A.Titus, P.England, A.M.Houdusse. Structural Basis of Myosin V Rab Gtpase-Dependent Cargo Recognition. Proc.Natl.Acad.Sci.Usa V. 110 20443 2013.
ISSN: ISSN 0027-8424
PubMed: 24248336
DOI: 10.1073/PNAS.1314329110
Page generated: Sun Dec 13 12:07:23 2020

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