Atomistry » Fluorine » PDB 2weg-2x2f » 2wyg
Atomistry »
  Fluorine »
    PDB 2weg-2x2f »
      2wyg »

Fluorine in PDB 2wyg: Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs

Enzymatic activity of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs

All present enzymatic activity of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs:
3.4.21.6;

Protein crystallography data

The structure of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs, PDB code: 2wyg was solved by S.Kleanthous, A.D.Borthwick, D.Brown, C.L.Burns-Kurtis, M.Campbell, L.Chaudry, C.Chan, M.Clarte, M.A.Convery, J.D.Harling, E.Hortense, W.R.Irving, S.Irvine, A.J.Pateman, A.Patikis, I.L.Pinto, D.R.Pollard, T.J.Roethka, S.Senger, G.P.Shah, G.J.Stelman, J.R.Toomey, N.S.Watson, C.Whittaker, P.Zhou, R.J.Young, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.49 / 1.88
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.673, 72.814, 78.509, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 23.4

Other elements in 2wyg:

The structure of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs (pdb code 2wyg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs, PDB code: 2wyg:

Fluorine binding site 1 out of 1 in 2wyg

Go back to Fluorine Binding Sites List in 2wyg
Fluorine binding site 1 out of 1 in the Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1245

b:47.6
occ:1.00
 F1 A:4611245 0.0 47.6 1.0
C21 A:4611245 1.3 43.3 1.0
C24 A:4611245 2.3 41.1 1.0
C15 A:4611245 2.3 40.0 1.0
O3 A:4611245 2.6 41.4 1.0
N2 A:4611245 2.7 42.1 1.0
C50 A:4611245 2.9 42.5 1.0
O A:HOH2145 3.0 44.9 1.0
O A:HOH2052 3.2 39.3 1.0
O A:HOH2133 3.5 30.7 1.0
C27 A:4611245 3.6 43.1 1.0
C22 A:4611245 3.6 40.7 1.0
OH A:TYR99 3.7 36.5 1.0
C14 A:4611245 3.9 40.3 1.0
CZ A:TYR99 3.9 36.1 1.0
CE2 A:TYR99 3.9 32.7 1.0
C26 A:4611245 4.1 38.9 1.0
CB A:TRP215 4.1 24.2 1.0
C12 A:4611245 4.2 40.8 1.0
N1 A:4611245 4.4 39.9 1.0
C13 A:4611245 4.6 42.4 1.0
CE1 A:TYR99 4.7 34.2 1.0
CD2 A:TYR99 4.7 34.7 1.0
C28 A:4611245 4.8 44.2 1.0
CA A:TRP215 5.0 23.4 1.0

Reference:

S.Kleanthous, A.D.Borthwick, D.Brown, C.L.Burns-Kurtis, M.Campbell, L.Chaudry, C.Chan, M.Clarte, M.A.Convery, J.D.Harling, E.Hortense, W.R.Irving, S.Irvine, A.J.Pateman, A.Patikis, I.L.Pinto, D.R.Pollard, T.J.Roethka, S.Senger, G.P.Shah, G.J.Stelman, J.R.Toomey, N.S.Watson, C.Whittaker, P.Zhou, R.J.Young. Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett. V. 20 618 2010.
ISSN: ISSN 0960-894X
PubMed: 20006499
DOI: 10.1016/J.BMCL.2009.11.077
Page generated: Mon Jul 14 14:44:18 2025

Last articles

Na in 2XIO
Na in 2XCD
Na in 2XHG
Na in 2XHB
Na in 2XH8
Na in 2XE4
Na in 2XGE
Na in 2XDJ
Na in 2XCJ
Na in 2XC6
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy