Atomistry » Fluorine » PDB 6x3d-6xk9 » 6xju
Atomistry »
  Fluorine »
    PDB 6x3d-6xk9 »
      6xju »

Fluorine in PDB 6xju: Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)

Protein crystallography data

The structure of Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq), PDB code: 6xju was solved by J.M.Baumhardt, Y.M.Chook, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.18 / 2.19
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.965, 105.965, 305.398, 90, 90, 90
R / Rfree (%) 19.9 / 22.5

Other elements in 6xju:

The structure of Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) (pdb code 6xju). 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 Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq), PDB code: 6xju:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6xju

Go back to Fluorine Binding Sites List in 6xju
Fluorine binding site 1 out of 6 in the Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)


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 Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:47.2
occ:1.00
F2 C:6L81101 0.0 47.2 1.0
C13 C:6L81101 1.3 48.3 1.0
F1 C:6L81101 2.1 50.0 1.0
F3 C:6L81101 2.2 50.1 1.0
C10 C:6L81101 2.2 45.9 1.0
H2 C:6L81101 2.5 53.6 1.0
C11 C:6L81101 2.7 44.6 1.0
HG22 C:THR575 3.4 52.2 1.0
C9 C:6L81101 3.4 44.7 1.0
HG2 C:LYS579 3.6 64.0 1.0
H1 C:6L81101 3.7 53.8 1.0
HD21 C:LEU536 3.8 60.0 1.0
HG21 C:THR575 3.9 52.2 1.0
C6 C:6L81101 4.0 43.7 1.0
HB2 C:LYS579 4.0 58.3 1.0
HD3 C:LYS579 4.1 70.9 1.0
CG2 C:THR575 4.1 43.4 1.0
HD22 C:LEU536 4.2 60.0 1.0
HE1 C:PHE572 4.3 52.5 1.0
HD11 C:LEU536 4.3 60.3 1.0
CG C:LYS579 4.4 53.3 1.0
CD2 C:LEU536 4.5 49.9 1.0
C8 C:6L81101 4.5 44.3 1.0
HG23 C:THR575 4.5 52.2 1.0
CB C:LYS579 4.6 48.5 1.0
HB3 C:LYS579 4.7 58.3 1.0
HA C:VAL576 4.7 43.8 1.0
CD C:LYS579 4.7 59.0 1.0
HD13 C:LEU536 4.7 60.3 1.0
C7 C:6L81101 4.8 43.6 1.0
HG22 C:VAL576 4.9 40.4 1.0
CD1 C:LEU536 5.0 50.2 1.0
CE1 C:PHE572 5.0 43.7 1.0

Fluorine binding site 2 out of 6 in 6xju

Go back to Fluorine Binding Sites List in 6xju
Fluorine binding site 2 out of 6 in the Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)


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 Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:50.0
occ:1.00
F1 C:6L81101 0.0 50.0 1.0
C13 C:6L81101 1.3 48.3 1.0
F3 C:6L81101 1.9 50.1 1.0
F2 C:6L81101 2.1 47.2 1.0
C10 C:6L81101 2.4 45.9 1.0
H1 C:6L81101 2.6 53.8 1.0
HG22 C:VAL576 2.9 40.4 1.0
C9 C:6L81101 2.9 44.7 1.0
HG22 C:THR575 3.0 52.2 1.0
HA C:VAL576 3.1 43.8 1.0
HE1 C:PHE572 3.2 52.5 1.0
HG23 C:VAL576 3.4 40.4 1.0
CG2 C:VAL576 3.5 33.6 1.0
CE1 C:PHE572 3.6 43.7 1.0
C11 C:6L81101 3.7 44.6 1.0
CG2 C:THR575 3.8 43.4 1.0
HG21 C:THR575 3.8 52.2 1.0
CA C:VAL576 3.9 36.4 1.0
H2 C:6L81101 3.9 53.6 1.0
N C:VAL576 3.9 37.5 1.0
HZ C:PHE572 4.0 50.9 1.0
HB C:THR575 4.0 52.2 1.0
CZ C:PHE572 4.0 42.3 1.0
HG2 C:LYS579 4.1 64.0 1.0
HB2 C:LYS579 4.2 58.3 1.0
H C:VAL576 4.2 45.1 1.0
C C:THR575 4.2 39.6 1.0
C8 C:6L81101 4.3 44.3 1.0
HG21 C:VAL576 4.3 40.4 1.0
HB3 C:LYS579 4.3 58.3 1.0
CB C:VAL576 4.3 34.8 1.0
O C:THR575 4.3 38.8 1.0
CD1 C:PHE572 4.4 44.1 1.0
CB C:THR575 4.4 43.4 1.0
HD1 C:PHE572 4.5 53.0 1.0
HG23 C:THR575 4.5 52.2 1.0
CB C:LYS579 4.6 48.5 1.0
HG13 C:VAL576 4.7 39.8 1.0
HD21 C:LEU536 4.8 60.0 1.0
C6 C:6L81101 4.8 43.7 1.0
CG C:LYS579 4.9 53.3 1.0
O C:PHE572 4.9 40.9 1.0
CA C:THR575 5.0 41.3 1.0

Fluorine binding site 3 out of 6 in 6xju

Go back to Fluorine Binding Sites List in 6xju
Fluorine binding site 3 out of 6 in the Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)


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 Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:50.1
occ:1.00
F3 C:6L81101 0.0 50.1 1.0
C13 C:6L81101 1.3 48.3 1.0
F1 C:6L81101 1.9 50.0 1.0
F2 C:6L81101 2.2 47.2 1.0
C10 C:6L81101 2.2 45.9 1.0
HE1 C:PHE572 2.8 52.5 1.0
C11 C:6L81101 3.0 44.6 1.0
HD21 C:LEU536 3.0 60.0 1.0
H2 C:6L81101 3.0 53.6 1.0
C9 C:6L81101 3.1 44.7 1.0
H1 C:6L81101 3.2 53.8 1.0
HD11 C:LEU536 3.4 60.3 1.0
HZ C:PHE572 3.4 50.9 1.0
CE1 C:PHE572 3.5 43.7 1.0
CZ C:PHE572 3.8 42.3 1.0
HG22 C:VAL576 3.9 40.4 1.0
HG23 C:ILE532 3.9 65.4 1.0
CD2 C:LEU536 4.0 49.9 1.0
HG21 C:ILE532 4.0 65.4 1.0
HD22 C:LEU536 4.2 60.0 1.0
CD1 C:LEU536 4.2 50.2 1.0
C6 C:6L81101 4.2 43.7 1.0
CG2 C:ILE532 4.3 54.4 1.0
C8 C:6L81101 4.3 44.3 1.0
HG22 C:ILE532 4.4 65.4 1.0
HG21 C:ILE555 4.4 42.6 1.0
HD13 C:LEU536 4.5 60.3 1.0
HD23 C:LEU536 4.6 60.0 1.0
CG C:LEU536 4.6 50.1 1.0
HG22 C:THR575 4.6 52.2 1.0
HG23 C:VAL576 4.6 40.4 1.0
HG C:LEU536 4.7 60.3 1.0
CD1 C:PHE572 4.7 44.1 1.0
CG2 C:VAL576 4.7 33.6 1.0
C7 C:6L81101 4.8 43.6 1.0
HG2 C:LYS579 4.8 64.0 1.0
HA C:VAL576 4.8 43.8 1.0
HG11 C:VAL559 4.9 36.4 0.8
HD1 C:PHE572 4.9 53.0 1.0
HD12 C:LEU536 4.9 60.3 1.0

Fluorine binding site 4 out of 6 in 6xju

Go back to Fluorine Binding Sites List in 6xju
Fluorine binding site 4 out of 6 in the Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)


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 Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:45.0
occ:1.00
F6 C:6L81101 0.0 45.0 1.0
C12 C:6L81101 1.3 45.3 1.0
F5 C:6L81101 2.0 47.2 1.0
F4 C:6L81101 2.1 45.6 1.0
C8 C:6L81101 2.3 44.3 1.0
H1 C:6L81101 2.5 53.8 1.0
HG13 C:VAL576 2.6 39.8 1.0
C9 C:6L81101 2.8 44.7 1.0
HG C:LEU580 2.9 42.4 1.0
HD21 C:LEU580 3.1 42.2 1.0
HD23 C:LEU580 3.1 42.2 1.0
HB3 C:LYS579 3.2 58.3 1.0
CD2 C:LEU580 3.4 35.1 1.0
O C:VAL576 3.5 34.5 1.0
C7 C:6L81101 3.5 43.6 1.0
CG1 C:VAL576 3.5 33.1 1.0
CG C:LEU580 3.6 35.3 1.0
HA C:VAL576 3.6 43.8 1.0
HG21 C:VAL559 3.6 36.6 0.8
HG2 C:MET556 3.7 40.4 1.0
HG12 C:VAL576 3.7 39.8 1.0
HG3 C:LYS579 3.8 64.0 1.0
H3 C:6L81101 3.8 52.4 1.0
HG2 C:LYS579 3.8 64.0 1.0
HG11 C:VAL559 4.0 36.4 0.2
H C:LEU580 4.0 47.4 1.0
CB C:LYS579 4.1 48.5 1.0
CG C:LYS579 4.1 53.3 1.0
C10 C:6L81101 4.1 45.9 1.0
HG11 C:VAL576 4.1 39.8 1.0
HG22 C:VAL576 4.1 40.4 1.0
CA C:VAL576 4.2 36.4 1.0
C C:VAL576 4.2 36.0 1.0
N C:LEU580 4.2 39.4 1.0
HD11 C:LEU580 4.2 41.8 1.0
HD22 C:LEU580 4.3 42.2 1.0
CB C:VAL576 4.3 34.8 1.0
HA C:LEU580 4.4 44.9 1.0
HA C:MET556 4.4 37.9 1.0
HG3 C:MET556 4.5 40.4 1.0
CD1 C:LEU580 4.5 34.8 1.0
CG C:MET556 4.5 33.6 1.0
HE2 C:PHE583 4.6 60.2 1.0
CG2 C:VAL559 4.6 30.4 0.8
C C:LYS579 4.6 42.1 1.0
HG22 C:ILE555 4.6 42.6 1.0
CB C:LEU580 4.7 36.0 1.0
C6 C:6L81101 4.7 43.7 1.0
CA C:LEU580 4.7 37.3 1.0
HB2 C:LYS579 4.7 58.3 1.0
CG2 C:VAL576 4.7 33.6 1.0
HD2 C:PHE583 4.8 58.8 1.0
HG22 C:VAL559 4.8 36.6 0.8
HG11 C:VAL559 4.9 36.4 0.8
CG1 C:VAL559 4.9 30.2 0.2
HG23 C:VAL559 4.9 36.6 0.8
HD12 C:LEU580 4.9 41.8 1.0
HG12 C:VAL559 4.9 36.4 0.2
C11 C:6L81101 4.9 44.6 1.0
CA C:LYS579 4.9 44.5 1.0
HG21 C:THR598 5.0 32.8 1.0

Fluorine binding site 5 out of 6 in 6xju

Go back to Fluorine Binding Sites List in 6xju
Fluorine binding site 5 out of 6 in the Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)


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 Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:47.2
occ:1.00
F5 C:6L81101 0.0 47.2 1.0
C12 C:6L81101 1.3 45.3 1.0
F6 C:6L81101 2.0 45.0 1.0
F4 C:6L81101 2.0 45.6 1.0
C8 C:6L81101 2.3 44.3 1.0
HG21 C:VAL559 2.5 36.6 0.8
HA C:MET556 2.8 37.9 1.0
HG22 C:ILE555 2.9 42.6 1.0
HG2 C:MET556 2.9 40.4 1.0
H1 C:6L81101 3.1 53.8 1.0
C9 C:6L81101 3.1 44.7 1.0
C7 C:6L81101 3.3 43.6 1.0
HG22 C:VAL559 3.3 36.6 0.8
CG2 C:VAL559 3.3 30.4 0.8
H3 C:6L81101 3.4 52.4 1.0
HG11 C:VAL559 3.4 36.4 0.2
HG13 C:VAL576 3.5 39.8 1.0
HG3 C:MET556 3.5 40.4 1.0
CG C:MET556 3.6 33.6 1.0
CA C:MET556 3.6 31.5 1.0
HD21 C:LEU580 3.6 42.2 1.0
HG11 C:VAL559 3.6 36.4 0.8
HB C:VAL559 3.8 36.6 0.2
CG2 C:ILE555 3.8 35.4 1.0
N C:MET556 3.8 31.2 1.0
O C:ILE555 3.9 34.8 1.0
HG23 C:VAL559 3.9 36.6 0.8
HG21 C:ILE555 3.9 42.6 1.0
C C:ILE555 3.9 32.6 1.0
HG12 C:VAL559 3.9 36.4 0.2
CG1 C:VAL559 4.0 30.2 0.2
HD23 C:LEU580 4.2 42.2 1.0
H C:MET556 4.2 37.5 1.0
HB C:ILE555 4.2 43.1 1.0
HG13 C:VAL559 4.2 36.4 0.8
CB C:MET556 4.2 31.9 1.0
CG1 C:VAL559 4.2 30.3 0.8
CD2 C:LEU580 4.3 35.1 1.0
C10 C:6L81101 4.3 45.9 1.0
CB C:VAL559 4.4 30.4 0.8
CB C:VAL559 4.4 30.4 0.2
CG1 C:VAL576 4.4 33.1 1.0
HG23 C:ILE555 4.4 42.6 1.0
HG C:LEU580 4.5 42.4 1.0
C6 C:6L81101 4.5 43.7 1.0
CB C:ILE555 4.5 35.9 1.0
HG21 C:VAL559 4.5 36.8 0.2
HG21 C:THR598 4.5 32.8 1.0
HE2 C:PHE583 4.5 60.2 1.0
HG22 C:VAL576 4.6 40.4 1.0
HG11 C:VAL576 4.6 39.8 1.0
HB C:VAL559 4.7 36.6 0.8
HB3 C:MET556 4.8 38.3 1.0
C C:MET556 4.8 30.8 1.0
HG12 C:VAL576 4.8 39.8 1.0
CA C:ILE555 4.9 32.9 1.0
HG13 C:VAL559 4.9 36.4 0.2
C11 C:6L81101 4.9 44.6 1.0
HB2 C:MET556 4.9 38.3 1.0
HG2 C:LYS579 4.9 64.0 1.0
CG C:LEU580 5.0 35.3 1.0
O C:MET556 5.0 32.0 1.0

Fluorine binding site 6 out of 6 in 6xju

Go back to Fluorine Binding Sites List in 6xju
Fluorine binding site 6 out of 6 in the Crystal Structure of Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)


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 Kpt-8602 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1101

b:45.6
occ:1.00
F4 C:6L81101 0.0 45.6 1.0
C12 C:6L81101 1.3 45.3 1.0
F5 C:6L81101 2.0 47.2 1.0
F6 C:6L81101 2.1 45.0 1.0
C8 C:6L81101 2.2 44.3 1.0
H3 C:6L81101 2.4 52.4 1.0
HG2 C:MET556 2.5 40.4 1.0
C7 C:6L81101 2.7 43.6 1.0
HE2 C:PHE583 2.7 60.2 1.0
HG3 C:MET556 2.7 40.4 1.0
HD23 C:LEU580 3.0 42.2 1.0
CG C:MET556 3.1 33.6 1.0
HD21 C:LEU580 3.2 42.2 1.0
CE2 C:PHE583 3.3 50.1 1.0
HD2 C:PHE583 3.4 58.8 1.0
C9 C:6L81101 3.5 44.7 1.0
CD2 C:LEU580 3.6 35.1 1.0
CD2 C:PHE583 3.7 48.9 1.0
HG3 C:LYS579 3.7 64.0 1.0
HA C:MET556 3.8 37.9 1.0
H1 C:6L81101 3.8 53.8 1.0
C6 C:6L81101 4.0 43.7 1.0
SD C:MET556 4.0 36.1 1.0
HG2 C:LYS579 4.1 64.0 1.0
HG C:LEU580 4.1 42.4 1.0
HG22 C:ILE555 4.1 42.6 1.0
CB C:MET556 4.3 31.9 1.0
HD22 C:LEU580 4.3 42.2 1.0
CA C:MET556 4.4 31.5 1.0
CG C:LYS579 4.4 53.3 1.0
CZ C:PHE583 4.4 50.0 1.0
HB3 C:LYS579 4.4 58.3 1.0
HG21 C:VAL559 4.4 36.6 0.8
CG C:LEU580 4.5 35.3 1.0
N C:MET556 4.5 31.2 1.0
H C:MET556 4.5 37.5 1.0
HA C:LEU580 4.5 44.9 1.0
HB C:ILE555 4.5 43.1 1.0
HG13 C:VAL576 4.6 39.8 1.0
HZ C:PHE583 4.6 60.1 1.0
HE2 C:MET556 4.6 43.6 1.0
C10 C:6L81101 4.6 45.9 1.0
HG21 C:ILE555 4.7 42.6 1.0
O C:ALA552 4.8 36.9 1.0
N3 C:6L81101 4.8 44.4 1.0
CG2 C:ILE555 4.8 35.4 1.0
HB2 C:MET556 4.8 38.3 1.0
HB3 C:MET556 4.8 38.3 1.0
C11 C:6L81101 4.9 44.6 1.0
C5 C:6L81101 4.9 44.2 1.0
CB C:LYS579 5.0 48.5 1.0
CG C:PHE583 5.0 47.4 1.0
HE3 C:LYS579 5.0 76.1 1.0

Reference:

J.S.Walker, Z.A.Hing, B.Harrington, J.Baumhardt, H.G.Ozer, A.Lehman, B.Giacopelli, L.Beaver, K.Williams, J.N.Skinner, C.B.Cempre, Q.Sun, S.Shacham, B.R.Stromberg, M.K.Summers, L.V.Abruzzo, L.Rassenti, T.J.Kipps, S.Parikh, N.E.Kay, K.A.Rogers, J.A.Woyach, V.Coppola, Y.M.Chook, C.Oakes, J.C.Byrd, R.Lapalombella. Recurrent XPO1 Mutations Alter Pathogenesis of Chronic Lymphocytic Leukemia. J Hematol Oncol V. 14 17 2021.
ISSN: ISSN 1756-8722
PubMed: 33451349
DOI: 10.1186/S13045-021-01032-2
Page generated: Tue Jul 15 17:28:17 2025

Last articles

Mg in 3T9B
Mg in 3T99
Mg in 3T8V
Mg in 3T80
Mg in 3T5P
Mg in 3T8Q
Mg in 3T8O
Mg in 3T7A
Mg in 3T77
Mg in 3T6E
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy