Fluorine in PDB 7kxw: Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1

Enzymatic activity of Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1

All present enzymatic activity of Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1, PDB code: 7kxw was solved by O.Patel, I.Lucet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.29 / 3.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 143.95, 61.714, 65.312, 90, 103.04, 90
R / Rfree (%) 20 / 26

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1 (pdb code 7kxw). 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 DCLK1-Kd in Complex with DCLK1-in-1, PDB code: 7kxw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7kxw

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Fluorine binding site 1 out of 6 in the Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1


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 DCLK1-Kd in Complex with DCLK1-in-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:64.7
occ:1.00
 F A:XBD701 0.0 64.7 1.0
C2 A:XBD701 1.3 63.0 1.0
F1 A:XBD701 2.2 60.8 1.0
F2 A:XBD701 2.2 59.4 1.0
C1 A:XBD701 2.4 64.3 1.0
N A:XBD701 2.7 62.7 1.0
C A:XBD701 2.9 58.5 1.0
O A:XBD701 3.1 60.0 1.0
C4 A:PEG702 3.2 53.9 1.0
C3 A:XBD701 3.6 64.7 1.0
N6 A:XBD701 3.7 57.9 1.0
O4 A:PEG702 3.8 52.3 1.0
C21 A:XBD701 3.9 59.8 1.0
C4 A:XBD701 4.0 62.7 1.0
C20 A:XBD701 4.2 56.3 1.0
SD A:MET465 4.5 58.0 1.0
CD A:LYS419 4.5 60.3 1.0
C3 A:PEG702 4.5 55.0 1.0
C19 A:XBD701 4.6 59.2 1.0
C18 A:XBD701 4.7 65.4 1.0
CB A:LYS419 4.9 53.9 1.0

Fluorine binding site 2 out of 6 in 7kxw

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Fluorine binding site 2 out of 6 in the Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1


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 DCLK1-Kd in Complex with DCLK1-in-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:60.8
occ:1.00
 F1 A:XBD701 0.0 60.8 1.0
C2 A:XBD701 1.3 63.0 1.0
F A:XBD701 2.2 64.7 1.0
F2 A:XBD701 2.2 59.4 1.0
C1 A:XBD701 2.4 64.3 1.0
N A:XBD701 3.6 62.7 1.0
CB A:ALA417 3.6 58.5 1.0
CB A:MET465 3.6 49.8 1.0
SD A:MET465 3.7 58.0 1.0
CG A:MET465 4.0 48.8 1.0
O A:XBD701 4.1 60.0 1.0
CB A:LYS419 4.1 53.9 1.0
C A:XBD701 4.2 58.5 1.0
O A:ALA417 4.3 59.0 1.0
C A:ALA417 4.5 59.2 1.0
C3 A:XBD701 4.5 64.7 1.0
C4 A:PEG702 4.7 53.9 1.0
CA A:ALA417 4.7 59.5 1.0
CA A:MET465 4.7 54.2 1.0
N A:LYS419 4.8 58.4 1.0
CD A:LYS419 4.8 60.3 1.0
N A:MET465 4.8 57.3 1.0
CG1 A:VAL404 4.9 57.8 1.0
CA A:LYS419 5.0 56.9 1.0

Fluorine binding site 3 out of 6 in 7kxw

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Fluorine binding site 3 out of 6 in the Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1


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 DCLK1-Kd in Complex with DCLK1-in-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:59.4
occ:1.00
 F2 A:XBD701 0.0 59.4 1.0
C2 A:XBD701 1.3 63.0 1.0
F1 A:XBD701 2.2 60.8 1.0
F A:XBD701 2.2 64.7 1.0
C1 A:XBD701 2.4 64.3 1.0
N A:XBD701 3.0 62.7 1.0
CB A:ALA417 3.2 58.5 1.0
C3 A:XBD701 3.3 64.7 1.0
CG1 A:VAL404 3.7 57.8 1.0
C4 A:XBD701 3.8 62.7 1.0
C18 A:XBD701 3.8 65.4 1.0
C A:XBD701 4.0 58.5 1.0
N6 A:XBD701 4.1 57.9 1.0
O A:XBD701 4.5 60.0 1.0
N1 A:XBD701 4.6 67.0 1.0
N5 A:XBD701 4.6 69.8 1.0
CA A:ALA417 4.7 59.5 1.0
CG2 A:VAL404 4.8 57.6 1.0
C19 A:XBD701 4.8 59.2 1.0
C5 A:XBD701 4.9 71.7 1.0
CB A:VAL404 4.9 69.0 1.0
O A:GLU466 5.0 65.3 1.0

Fluorine binding site 4 out of 6 in 7kxw

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Fluorine binding site 4 out of 6 in the Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1


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 DCLK1-Kd in Complex with DCLK1-in-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:60.5
occ:1.00
 F B:XBD701 0.0 60.5 1.0
C2 B:XBD701 1.3 54.6 1.0
F1 B:XBD701 2.1 57.2 1.0
F2 B:XBD701 2.1 47.5 1.0
C1 B:XBD701 2.4 53.3 1.0
N B:XBD701 2.7 50.5 1.0
C B:XBD701 2.9 54.8 1.0
O B:XBD701 3.1 53.8 1.0
N6 B:XBD701 3.6 54.9 1.0
C3 B:XBD701 3.6 51.4 1.0
O2 B:PG4702 3.7 56.5 1.0
C3 B:PG4702 3.8 53.5 1.0
C21 B:XBD701 3.8 55.5 1.0
C2 B:PG4702 3.9 60.3 1.0
C4 B:XBD701 4.0 52.4 1.0
C4 B:PG4702 4.1 59.1 1.0
C20 B:XBD701 4.1 55.0 1.0
SD B:MET465 4.2 54.8 1.0
CD B:LYS419 4.3 57.7 1.0
C1 B:PG4702 4.4 61.9 1.0
C19 B:XBD701 4.4 51.9 1.0
CG1 B:VAL404 4.5 62.8 1.0
CG2 B:VAL404 4.5 70.9 1.0
CB B:LYS419 4.7 56.4 1.0
C18 B:XBD701 4.7 51.5 1.0
O3 B:PG4702 4.9 68.5 1.0

Fluorine binding site 5 out of 6 in 7kxw

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Fluorine binding site 5 out of 6 in the Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1


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 DCLK1-Kd in Complex with DCLK1-in-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:57.2
occ:1.00
 F1 B:XBD701 0.0 57.2 1.0
C2 B:XBD701 1.3 54.6 1.0
F B:XBD701 2.1 60.5 1.0
F2 B:XBD701 2.1 47.5 1.0
C1 B:XBD701 2.4 53.3 1.0
SD B:MET465 3.3 54.8 1.0
CB B:MET465 3.5 58.6 1.0
N B:XBD701 3.6 50.5 1.0
CG B:MET465 3.7 55.1 1.0
CB B:LYS419 4.0 56.4 1.0
CB B:ALA417 4.0 53.8 1.0
O B:XBD701 4.2 53.8 1.0
C B:XBD701 4.3 54.8 1.0
O B:ALA417 4.3 53.0 1.0
C3 B:XBD701 4.5 51.4 1.0
C B:ALA417 4.5 54.3 1.0
CA B:MET465 4.6 51.4 1.0
N B:LYS419 4.6 59.0 1.0
CG1 B:VAL404 4.6 62.8 1.0
CD B:LYS419 4.7 57.7 1.0
N B:MET465 4.7 47.7 1.0
CE B:MET465 4.7 48.9 1.0
CA B:LYS419 4.9 58.1 1.0
CA B:ALA417 4.9 52.5 1.0
O B:LEU463 4.9 48.4 1.0
CG B:LYS419 4.9 53.9 1.0
C B:LEU418 5.0 56.0 1.0

Fluorine binding site 6 out of 6 in 7kxw

Go back to Fluorine Binding Sites List in 7kxw
Fluorine binding site 6 out of 6 in the Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1


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 DCLK1-Kd in Complex with DCLK1-in-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:47.5
occ:1.00
 F2 B:XBD701 0.0 47.5 1.0
C2 B:XBD701 1.3 54.6 1.0
F1 B:XBD701 2.1 57.2 1.0
F B:XBD701 2.1 60.5 1.0
C1 B:XBD701 2.4 53.3 1.0
N B:XBD701 3.0 50.5 1.0
C3 B:XBD701 3.2 51.4 1.0
CB B:ALA417 3.2 53.8 1.0
CG1 B:VAL404 3.2 62.8 1.0
C4 B:XBD701 3.6 52.4 1.0
C18 B:XBD701 3.8 51.5 1.0
N6 B:XBD701 3.9 54.9 1.0
C B:XBD701 4.0 54.8 1.0
N1 B:XBD701 4.4 52.2 1.0
CG2 B:VAL404 4.4 70.9 1.0
CB B:VAL404 4.4 65.7 1.0
CA B:ALA417 4.5 52.5 1.0
O B:XBD701 4.5 53.8 1.0
C19 B:XBD701 4.6 51.9 1.0
N5 B:XBD701 4.6 55.4 1.0
C B:ALA417 4.7 54.3 1.0
C5 B:XBD701 4.7 53.2 1.0
C20 B:XBD701 4.9 55.0 1.0
C21 B:XBD701 4.9 55.5 1.0
O B:ALA417 5.0 53.0 1.0

Reference:

O.Patel, O.Patel, I.Lucet. N/A N/A.
ISSN: ESSN 2399-3642
Page generated: Fri Aug 2 08:34:03 2024

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