Atomistry » Fluorine » PDB 3fls-3g70 » 3fzr
Atomistry »
  Fluorine »
    PDB 3fls-3g70 »
      3fzr »

Fluorine in PDB 3fzr: Crystal Structure of PYK2 Complexed with Pf-431396

Enzymatic activity of Crystal Structure of PYK2 Complexed with Pf-431396

All present enzymatic activity of Crystal Structure of PYK2 Complexed with Pf-431396:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of PYK2 Complexed with Pf-431396, PDB code: 3fzr was solved by S.Han, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 17.88 / 2.70
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 107.326, 107.326, 75.786, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 27.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of PYK2 Complexed with Pf-431396 (pdb code 3fzr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of PYK2 Complexed with Pf-431396, PDB code: 3fzr:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3fzr

Go back to Fluorine Binding Sites List in 3fzr
Fluorine binding site 1 out of 3 in the Crystal Structure of PYK2 Complexed with Pf-431396


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 PYK2 Complexed with Pf-431396 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:44.6
occ:1.00
F29 A:3JZ999 0.0 44.6 1.0
C8 A:3JZ999 1.5 42.8 1.0
F28 A:3JZ999 2.2 43.9 1.0
F27 A:3JZ999 2.4 44.5 1.0
C6 A:3JZ999 2.4 34.1 1.0
C5 A:3JZ999 3.0 31.2 1.0
N10 A:3JZ999 3.1 35.3 1.0
O A:HOH2 3.2 52.8 1.0
C7 A:3JZ999 3.5 33.2 1.0
CD1 A:LEU556 3.5 34.4 1.0
CG1 A:VAL487 3.7 42.0 1.0
OD2 A:ASP567 3.8 64.9 1.0
O A:HOH15 3.9 48.2 1.0
O A:GLY566 4.1 59.0 1.0
N4 A:3JZ999 4.2 26.1 1.0
CB A:VAL487 4.2 43.0 1.0
C17 A:3JZ999 4.3 38.7 1.0
CG2 A:VAL487 4.3 42.1 1.0
CE A:MET502 4.6 62.9 1.0
C12 A:3JZ999 4.6 35.6 1.0
N2 A:3JZ999 4.7 32.1 1.0
CG A:LEU556 4.7 36.9 1.0
CG A:MET502 4.7 60.1 1.0
CG A:ASP567 4.7 71.5 1.0
CD2 A:LEU556 4.8 42.3 1.0
C3 A:3JZ999 4.8 30.6 1.0
CB A:MET502 4.8 55.5 1.0
CB A:ASP567 4.9 55.2 1.0
C13 A:3JZ999 4.9 41.1 1.0

Fluorine binding site 2 out of 3 in 3fzr

Go back to Fluorine Binding Sites List in 3fzr
Fluorine binding site 2 out of 3 in the Crystal Structure of PYK2 Complexed with Pf-431396


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 PYK2 Complexed with Pf-431396 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:43.9
occ:1.00
F28 A:3JZ999 0.0 43.9 1.0
C8 A:3JZ999 1.3 42.8 1.0
F29 A:3JZ999 2.2 44.6 1.0
C6 A:3JZ999 2.3 34.1 1.0
F27 A:3JZ999 2.4 44.5 1.0
C5 A:3JZ999 2.8 31.2 1.0
N10 A:3JZ999 2.8 35.3 1.0
C7 A:3JZ999 3.4 33.2 1.0
CG A:MET502 3.5 60.1 1.0
O A:HOH2 3.6 52.8 1.0
CB A:MET502 3.6 55.5 1.0
CB A:ALA455 3.8 41.7 1.0
N4 A:3JZ999 4.0 26.1 1.0
C12 A:3JZ999 4.2 35.6 1.0
OD2 A:ASP567 4.3 64.9 1.0
N2 A:3JZ999 4.5 32.1 1.0
CE A:MET502 4.5 62.9 1.0
C3 A:3JZ999 4.6 30.6 1.0
CG1 A:VAL439 4.8 36.6 1.0
SD A:MET502 4.8 65.7 1.0
O A:GLU503 4.8 49.8 1.0

Fluorine binding site 3 out of 3 in 3fzr

Go back to Fluorine Binding Sites List in 3fzr
Fluorine binding site 3 out of 3 in the Crystal Structure of PYK2 Complexed with Pf-431396


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 PYK2 Complexed with Pf-431396 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:44.5
occ:1.00
F27 A:3JZ999 0.0 44.5 1.0
C8 A:3JZ999 1.4 42.8 1.0
C6 A:3JZ999 2.3 34.1 1.0
F29 A:3JZ999 2.4 44.6 1.0
C7 A:3JZ999 2.4 33.2 1.0
F28 A:3JZ999 2.4 43.9 1.0
CB A:MET502 3.1 55.5 1.0
O A:GLU503 3.2 49.8 1.0
C5 A:3JZ999 3.6 31.2 1.0
CG1 A:VAL487 3.6 42.0 1.0
CG A:MET502 3.7 60.1 1.0
CB A:VAL487 3.7 43.0 1.0
N2 A:3JZ999 3.8 32.1 1.0
CE1 A:TYR505 4.1 24.3 1.0
CG2 A:VAL487 4.3 42.1 1.0
N10 A:3JZ999 4.4 35.3 1.0
CE A:MET502 4.4 62.9 1.0
CD1 A:TYR505 4.4 27.0 1.0
C A:GLU503 4.4 50.6 1.0
CA A:MET502 4.4 52.1 1.0
C3 A:3JZ999 4.5 30.6 1.0
N A:GLU503 4.5 52.4 1.0
N4 A:3JZ999 4.5 26.1 1.0
C A:MET502 4.6 57.2 1.0
SD A:MET502 4.6 65.7 1.0
CB A:ALA455 4.7 41.7 1.0
CD1 A:LEU556 4.8 34.4 1.0
CA A:VAL487 5.0 41.1 1.0

Reference:

S.Han, A.Mistry, J.S.Chang, D.Cunningham, M.Griffor, P.C.Bonnette, H.Wang, B.A.Chrunyk, G.E.Aspnes, D.P.Walker, A.D.Brosius, L.Buckbinder. Structural Characterization of Proline-Rich Tyrosine Kinase 2 (PYK2) Reveals A Unique (Dfg-Out) Conformation and Enables Inhibitor Design. J.Biol.Chem. V. 284 13193 2009.
ISSN: ISSN 0021-9258
PubMed: 19244237
DOI: 10.1074/JBC.M809038200
Page generated: Sun Dec 13 11:46:27 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy