Atomistry » Fluorine » PDB 3uyt-3vrb » 3uzp
Atomistry »
  Fluorine »
    PDB 3uyt-3vrb »
      3uzp »

Fluorine in PDB 3uzp: Crystal Structure of CK1D with PF670462 From P21 Crystal Form

Enzymatic activity of Crystal Structure of CK1D with PF670462 From P21 Crystal Form

All present enzymatic activity of Crystal Structure of CK1D with PF670462 From P21 Crystal Form:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of CK1D with PF670462 From P21 Crystal Form, PDB code: 3uzp was solved by X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.000, 72.800, 88.990, 90.00, 103.21, 90.00
R / Rfree (%) 22.2 / 23.7

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of CK1D with PF670462 From P21 Crystal Form (pdb code 3uzp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of CK1D with PF670462 From P21 Crystal Form, PDB code: 3uzp:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3uzp

Go back to Fluorine Binding Sites List in 3uzp
Fluorine binding site 1 out of 2 in the Crystal Structure of CK1D with PF670462 From P21 Crystal Form


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 CK1D with PF670462 From P21 Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F295

b:39.4
occ:1.00
F1 A:0CK295 0.0 39.4 1.0
C2 A:0CK295 1.3 39.2 1.0
C1 A:0CK295 2.3 38.1 1.0
C3 A:0CK295 2.5 38.0 1.0
CE A:MET80 3.2 43.5 1.0
CG A:MET80 3.3 41.8 1.0
O A:MET80 3.3 34.5 1.0
CB A:MET82 3.6 36.6 1.0
CB A:MET80 3.6 39.7 1.0
C6 A:0CK295 3.7 37.6 1.0
CD1 A:ILE68 3.8 44.9 1.0
C4 A:0CK295 3.8 37.2 1.0
C A:MET80 3.8 36.2 1.0
CB A:LYS38 4.0 37.4 1.0
SD A:MET80 4.0 44.9 1.0
CE A:MET82 4.0 39.4 1.0
N A:MET82 4.2 35.1 1.0
C5 A:0CK295 4.2 36.2 1.0
C A:VAL81 4.3 34.2 1.0
SD A:MET82 4.3 40.5 1.0
CA A:MET80 4.3 38.2 1.0
N A:LYS38 4.4 35.0 1.0
N A:VAL81 4.4 34.7 1.0
CA A:MET82 4.5 35.9 1.0
CG A:MET82 4.6 37.9 1.0
CA A:VAL81 4.7 34.6 1.0
O A:ALA36 4.7 30.1 1.0
O A:VAL81 4.7 35.2 1.0
CD A:LYS38 4.8 38.2 1.0
CA A:LYS38 4.8 37.6 1.0

Fluorine binding site 2 out of 2 in 3uzp

Go back to Fluorine Binding Sites List in 3uzp
Fluorine binding site 2 out of 2 in the Crystal Structure of CK1D with PF670462 From P21 Crystal Form


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 CK1D with PF670462 From P21 Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F295

b:31.8
occ:1.00
F1 B:0CK295 0.0 31.8 1.0
C2 B:0CK295 1.4 28.3 1.0
C1 B:0CK295 2.4 26.8 1.0
C3 B:0CK295 2.5 30.4 1.0
O B:MET80 3.0 32.5 1.0
CB B:MET80 3.1 37.2 1.0
C B:MET80 3.2 32.9 1.0
CG B:MET80 3.5 42.0 1.0
CB B:MET82 3.6 32.2 1.0
C6 B:0CK295 3.7 27.9 1.0
CD1 B:ILE68 3.7 37.6 1.0
N B:VAL81 3.7 30.4 1.0
N B:MET82 3.8 29.6 1.0
CA B:MET80 3.8 35.1 1.0
C4 B:0CK295 3.8 28.9 1.0
C B:VAL81 3.9 30.0 1.0
SD B:MET80 4.0 46.9 1.0
CA B:VAL81 4.1 29.3 1.0
CB B:LYS38 4.2 36.6 1.0
C5 B:0CK295 4.2 29.1 1.0
CA B:MET82 4.3 30.7 1.0
CE B:MET82 4.3 33.8 1.0
O B:VAL81 4.4 30.4 1.0
O B:ALA36 4.4 28.2 1.0
N B:LYS38 4.6 32.8 1.0
CG B:MET82 4.8 33.0 1.0
CE B:MET80 4.8 44.5 1.0
N B:MET80 4.9 35.8 1.0
SD B:MET82 4.9 34.0 1.0
CD B:LYS38 4.9 41.0 1.0

Reference:

A.Long, H.Zhao, X.Huang. Structural Basis For the Interaction Between Casein Kinase 1 Delta and A Potent and Selective Inhibitor. J.Med.Chem. V. 55 956 2012.
ISSN: ISSN 0022-2623
PubMed: 22168824
DOI: 10.1021/JM201387S
Page generated: Wed Jul 31 23:12:47 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy