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Fluorine in PDB 5zpu: LFS829 in Complex with CRM1-Ran-RANBP1

Protein crystallography data

The structure of LFS829 in Complex with CRM1-Ran-RANBP1, PDB code: 5zpu was solved by Q.Sun, Y.Lei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.01 / 2.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.438, 105.438, 303.907, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 25.9

Other elements in 5zpu:

The structure of LFS829 in Complex with CRM1-Ran-RANBP1 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the LFS829 in Complex with CRM1-Ran-RANBP1 (pdb code 5zpu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the LFS829 in Complex with CRM1-Ran-RANBP1, PDB code: 5zpu:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5zpu

Go back to Fluorine Binding Sites List in 5zpu
Fluorine binding site 1 out of 6 in the LFS829 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of LFS829 in Complex with CRM1-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:97.8
occ:1.00
 F6 C:D291101 0.0 97.8 1.0
C7 C:D291101 1.3 97.8 1.0
F4 C:D291101 2.1 98.3 1.0
F5 C:D291101 2.2 0.4 1.0
C6 C:D291101 2.3 93.8 1.0
C1 C:D291101 2.6 93.4 1.0
C5 C:D291101 3.5 89.7 1.0
CG2 C:VAL576 3.8 60.7 1.0
CE1 C:PHE572 3.9 66.2 1.0
C2 C:D291101 4.0 91.6 1.0
CZ C:PHE572 4.1 66.0 1.0
CA C:VAL576 4.1 56.8 1.0
N C:VAL576 4.2 58.6 1.0
CG2 C:THR575 4.4 57.7 1.0
CG C:LYS579 4.4 80.8 1.0
C C:THR575 4.6 60.1 1.0
CB C:VAL576 4.6 59.6 1.0
F3 C:D291101 4.6 85.6 1.0
CD1 C:PHE572 4.6 69.1 1.0
C4 C:D291101 4.6 93.5 1.0
CB C:THR575 4.8 56.5 1.0
O C:THR575 4.8 60.7 1.0
C3 C:D291101 4.9 92.9 1.0
CE2 C:PHE572 4.9 65.8 1.0
C8 C:D291101 4.9 87.6 1.0

Fluorine binding site 2 out of 6 in 5zpu

Go back to Fluorine Binding Sites List in 5zpu
Fluorine binding site 2 out of 6 in the LFS829 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of LFS829 in Complex with CRM1-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:98.3
occ:1.00
 F4 C:D291101 0.0 98.3 1.0
C7 C:D291101 1.3 97.8 1.0
F6 C:D291101 2.1 97.8 1.0
F5 C:D291101 2.2 0.4 1.0
C6 C:D291101 2.3 93.8 1.0
C5 C:D291101 2.7 89.7 1.0
C1 C:D291101 3.4 93.4 1.0
CD1 C:LEU536 3.7 68.0 1.0
CD2 C:LEU536 3.9 64.9 1.0
C4 C:D291101 4.0 93.5 1.0
CG C:LEU536 4.4 67.3 1.0
CE1 C:PHE572 4.4 66.2 1.0
C2 C:D291101 4.5 91.6 1.0
CG2 C:ILE532 4.5 66.2 1.0
C3 C:D291101 4.8 92.9 1.0
CZ C:PHE572 4.9 66.0 1.0
S1 C:D291101 5.0 94.8 1.0

Fluorine binding site 3 out of 6 in 5zpu

Go back to Fluorine Binding Sites List in 5zpu
Fluorine binding site 3 out of 6 in the LFS829 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of LFS829 in Complex with CRM1-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:0.4
occ:1.00
 F5 C:D291101 0.0 0.4 1.0
C7 C:D291101 1.3 97.8 1.0
F6 C:D291101 2.2 97.8 1.0
C6 C:D291101 2.2 93.8 1.0
F4 C:D291101 2.2 98.3 1.0
C5 C:D291101 2.8 89.7 1.0
CG C:LYS579 3.0 80.8 1.0
C1 C:D291101 3.2 93.4 1.0
CG2 C:THR575 3.4 57.7 1.0
CE C:LYS579 3.6 83.9 1.0
CD C:LYS579 3.7 84.3 1.0
C4 C:D291101 4.1 93.5 1.0
CB C:LYS579 4.2 72.0 1.0
C2 C:D291101 4.3 91.6 1.0
O C:THR575 4.3 60.7 1.0
CB C:THR575 4.4 56.5 1.0
C C:THR575 4.5 60.1 1.0
C3 C:D291101 4.7 92.9 1.0
N C:VAL576 4.8 58.6 1.0
O C:D291101 4.9 98.1 1.0
CA C:VAL576 4.9 56.8 1.0
NZ C:LYS579 4.9 84.7 1.0

Fluorine binding site 4 out of 6 in 5zpu

Go back to Fluorine Binding Sites List in 5zpu
Fluorine binding site 4 out of 6 in the LFS829 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of LFS829 in Complex with CRM1-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:85.6
occ:1.00
 F3 C:D291101 0.0 85.6 1.0
C8 C:D291101 1.3 87.6 1.0
F1 C:D291101 2.1 89.6 1.0
F2 C:D291101 2.2 81.8 1.0
C2 C:D291101 2.3 91.6 1.0
C1 C:D291101 2.7 93.4 1.0
C3 C:D291101 3.6 92.9 1.0
CG2 C:ILE555 3.8 49.3 1.0
C6 C:D291101 4.0 93.8 1.0
CG1 C:VAL576 4.1 61.1 1.0
CG2 C:VAL559 4.2 52.1 1.0
CD2 C:LEU580 4.3 56.9 1.0
CB C:VAL559 4.5 50.2 1.0
CG C:MET556 4.5 49.2 1.0
CG1 C:VAL559 4.5 53.3 1.0
F6 C:D291101 4.6 97.8 1.0
O C:VAL576 4.6 53.2 1.0
CA C:MET556 4.7 48.8 1.0
CG C:LEU580 4.7 55.6 1.0
CA C:VAL576 4.7 56.8 1.0
CB C:VAL576 4.7 59.6 1.0
CG2 C:VAL576 4.7 60.7 1.0
C4 C:D291101 4.7 93.5 1.0
N C:MET556 4.8 49.0 1.0
O C:ILE555 4.8 49.3 1.0
C C:ILE555 4.8 49.0 1.0
CB C:LYS579 4.9 72.0 1.0
C5 C:D291101 4.9 89.7 1.0
CB C:ILE555 4.9 47.4 1.0
C7 C:D291101 5.0 97.8 1.0

Fluorine binding site 5 out of 6 in 5zpu

Go back to Fluorine Binding Sites List in 5zpu
Fluorine binding site 5 out of 6 in the LFS829 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of LFS829 in Complex with CRM1-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:81.8
occ:1.00
 F2 C:D291101 0.0 81.8 1.0
C8 C:D291101 1.3 87.6 1.0
F1 C:D291101 2.1 89.6 1.0
F3 C:D291101 2.2 85.6 1.0
C2 C:D291101 2.4 91.6 1.0
C3 C:D291101 2.9 92.9 1.0
CG C:MET556 3.2 49.2 1.0
CE2 C:PHE583 3.4 80.2 1.0
CG2 C:ILE555 3.5 49.3 1.0
C1 C:D291101 3.6 93.4 1.0
N C:MET556 3.9 49.0 1.0
CB C:ILE555 4.0 47.4 1.0
CA C:MET556 4.1 48.8 1.0
CZ C:PHE583 4.1 81.7 1.0
O C:ALA552 4.1 55.7 1.0
CD2 C:PHE583 4.2 78.6 1.0
CB C:MET556 4.2 48.8 1.0
C4 C:D291101 4.2 93.5 1.0
C C:ILE555 4.3 49.0 1.0
SD C:MET556 4.5 48.6 1.0
CD2 C:LEU580 4.6 56.9 1.0
C6 C:D291101 4.7 93.8 1.0
O C:ILE555 4.8 49.3 1.0
CA C:ILE555 4.8 48.0 1.0
C5 C:D291101 5.0 89.7 1.0

Fluorine binding site 6 out of 6 in 5zpu

Go back to Fluorine Binding Sites List in 5zpu
Fluorine binding site 6 out of 6 in the LFS829 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of LFS829 in Complex with CRM1-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:89.6
occ:1.00
 F1 C:D291101 0.0 89.6 1.0
C8 C:D291101 1.3 87.6 1.0
F2 C:D291101 2.1 81.8 1.0
F3 C:D291101 2.1 85.6 1.0
C2 C:D291101 2.2 91.6 1.0
C1 C:D291101 3.0 93.4 1.0
C3 C:D291101 3.1 92.9 1.0
CB C:LYS579 3.4 72.0 1.0
CE2 C:PHE583 3.5 80.2 1.0
CD2 C:LEU580 3.7 56.9 1.0
N C:LEU580 3.9 58.0 1.0
C C:LYS579 3.9 59.9 1.0
CD2 C:PHE583 4.0 78.6 1.0
CZ C:PHE583 4.0 81.7 1.0
CG C:LEU580 4.1 55.6 1.0
O C:VAL576 4.1 53.2 1.0
C6 C:D291101 4.2 93.8 1.0
O C:LYS579 4.3 61.9 1.0
C4 C:D291101 4.3 93.5 1.0
CA C:LYS579 4.3 64.5 1.0
CA C:LEU580 4.3 58.0 1.0
CG C:MET556 4.5 49.2 1.0
CG C:LYS579 4.6 80.8 1.0
C5 C:D291101 4.8 89.7 1.0
CB C:LEU580 4.8 56.3 1.0
CG C:PHE583 4.8 77.0 1.0
CE1 C:PHE583 4.8 79.4 1.0

Reference:

Q.Sun, Y.Lei. To Be Published To Be Published.
Page generated: Thu Aug 1 17:31:53 2024

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