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Fluorine in PDB 2chl: Structure of Casein Kinase 1 Gamma 3

Protein crystallography data

The structure of Structure of Casein Kinase 1 Gamma 3, PDB code: 2chl was solved by G.Bunkoczi, E.Salah, P.Rellos, S.Das, O.Fedorov, P.Savitsky, O.Gileadi, M.Sundstrom, A.Edwards, C.Arrowsmith, E.Ugochukwu, J.Weigelt, F.Vondelft, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.95
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 55.802, 55.802, 219.707, 90.00, 90.00, 120.00
R / Rfree (%) 18.3 / 23.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Casein Kinase 1 Gamma 3 (pdb code 2chl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Casein Kinase 1 Gamma 3, PDB code: 2chl:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 2chl

Go back to Fluorine Binding Sites List in 2chl
Fluorine binding site 1 out of 2 in the Structure of Casein Kinase 1 Gamma 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Casein Kinase 1 Gamma 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1323

b:23.6
occ:1.00
FAF A:DKI1323 0.0 23.6 1.0
CAU A:DKI1323 1.4 31.4 1.0
CAZ A:DKI1323 2.4 31.3 1.0
CAI A:DKI1323 2.4 19.5 1.0
NAQ A:DKI1323 2.6 28.0 1.0
CG2 A:ILE184 2.9 25.1 1.0
O A:HOH2112 3.3 17.2 1.0
O A:GLU166 3.4 20.6 1.0
CD2 A:LEU169 3.4 20.7 1.0
CAS A:DKI1323 3.4 10.7 1.0
O A:HOH2250 3.6 22.5 1.0
CD1 A:LEU169 3.6 19.4 1.0
CAV A:DKI1323 3.6 31.8 1.0
CAH A:DKI1323 3.7 42.6 1.0
CG A:LEU169 3.9 25.0 1.0
CAJ A:DKI1323 4.2 36.4 1.0
SAE A:DKI1323 4.2 22.1 1.0
NBA A:DKI1323 4.3 16.7 1.0
CB A:ILE184 4.3 29.2 1.0
O A:HOH2026 4.5 21.0 1.0
C A:GLU166 4.5 18.0 1.0
NAP A:DKI1323 4.5 18.0 1.0
OD1 A:ASN167 4.5 15.4 1.0
CG1 A:ILE184 4.6 29.2 1.0
CA A:ASN167 4.6 25.0 1.0
CD1 A:ILE184 4.7 35.0 1.0
FAG A:DKI1323 4.8 25.1 1.0
O A:HOH2059 4.8 30.2 1.0

Fluorine binding site 2 out of 2 in 2chl

Go back to Fluorine Binding Sites List in 2chl
Fluorine binding site 2 out of 2 in the Structure of Casein Kinase 1 Gamma 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Casein Kinase 1 Gamma 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1323

b:25.1
occ:1.00
FAG A:DKI1323 0.0 25.1 1.0
CAV A:DKI1323 1.3 31.8 1.0
CAJ A:DKI1323 2.3 36.4 1.0
CAZ A:DKI1323 2.4 31.3 1.0
NAQ A:DKI1323 2.9 28.0 1.0
CD1 A:LEU57 3.2 19.6 1.0
CB A:LEU57 3.3 22.6 1.0
CAS A:DKI1323 3.3 10.7 1.0
CD2 A:LEU57 3.4 21.1 1.0
CG A:LEU57 3.4 33.3 1.0
SAE A:DKI1323 3.4 22.1 1.0
CZ A:PHE54 3.6 28.1 1.0
CAH A:DKI1323 3.6 42.6 1.0
CAU A:DKI1323 3.7 31.4 1.0
CE2 A:PHE54 3.9 34.9 1.0
O A:HOH2026 4.1 21.0 1.0
CAI A:DKI1323 4.1 19.5 1.0
O A:HOH2009 4.1 40.9 1.0
CE1 A:PHE54 4.2 25.2 1.0
CE A:LYS72 4.4 28.2 1.0
CG A:LYS72 4.4 38.5 1.0
NBA A:DKI1323 4.4 16.7 1.0
CA A:LEU57 4.5 22.1 1.0
CD A:LYS72 4.7 34.7 1.0
CD2 A:PHE54 4.7 19.8 1.0
FAF A:DKI1323 4.8 23.6 1.0
NAP A:DKI1323 4.9 18.0 1.0
N A:LEU57 4.9 22.0 1.0
CD1 A:PHE54 5.0 38.7 1.0

Reference:

G.Bunkoczi, E.Salah, P.Rellos, S.Das, O.Fedorov, P.Savitsky, O.Gileadi, M.Sundstrom, A.Edwards, C.Arrowsmith, E.Ugochukwu, J.Weigelt, F.Von Delft, S.Knapp. Structure of Casein Kinase 1 Gamma 3 To Be Published.
Page generated: Sun Dec 13 11:35:21 2020

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