Atomistry » Fluorine » PDB 2rfn-2vfz » 2uzl
Atomistry »
  Fluorine »
    PDB 2rfn-2vfz »
      2uzl »

Fluorine in PDB 2uzl: Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor

Enzymatic activity of Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor

All present enzymatic activity of Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor:
2.7.1.37; 2.7.11.22;

Protein crystallography data

The structure of Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor, PDB code: 2uzl was solved by C.M.Richardson, P.Dokurno, J.B.Murray, A.E.Surgenor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 211.604, 73.285, 152.367, 90.00, 129.33, 90.00
R / Rfree (%) 20.3 / 26.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor (pdb code 2uzl). 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 Human CDK2 Complexed with A Thiazolidinone Inhibitor, PDB code: 2uzl:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 2uzl

Go back to Fluorine Binding Sites List in 2uzl
Fluorine binding site 1 out of 6 in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor


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 Human CDK2 Complexed with A Thiazolidinone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1297

b:51.6
occ:1.00
F26 A:C941297 0.0 51.6 1.0
C24 A:C941297 1.3 49.9 1.0
F27 A:C941297 2.2 51.3 1.0
F25 A:C941297 2.2 50.1 1.0
O4 A:C941297 2.2 51.5 1.0
C15 A:C941297 2.3 49.6 1.0
O A:HIS84 2.5 24.6 1.0
S2 A:C941297 2.7 50.3 1.0
C16 A:C941297 2.8 49.7 1.0
O3 A:C941297 2.9 49.3 1.0
CA A:GLN85 3.4 23.6 1.0
C A:HIS84 3.5 24.6 1.0
C14 A:C941297 3.5 48.8 1.0
CB A:GLN85 3.6 23.7 1.0
N A:GLN85 3.9 24.2 1.0
C17 A:C941297 4.2 49.8 1.0
N6 A:C941297 4.3 49.9 1.0
C A:GLN85 4.6 23.0 1.0
C13 A:C941297 4.7 48.2 1.0
O A:LEU83 4.7 22.2 1.0
N A:ASP86 4.8 23.0 1.0
CA A:HIS84 4.8 24.8 1.0
C18 A:C941297 4.9 49.7 1.0

Fluorine binding site 2 out of 6 in 2uzl

Go back to Fluorine Binding Sites List in 2uzl
Fluorine binding site 2 out of 6 in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor


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 Human CDK2 Complexed with A Thiazolidinone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1297

b:51.3
occ:1.00
F27 A:C941297 0.0 51.3 1.0
C24 A:C941297 1.3 49.9 1.0
F26 A:C941297 2.2 51.6 1.0
F25 A:C941297 2.2 50.1 1.0
C15 A:C941297 2.3 49.6 1.0
O A:HIS84 2.3 24.6 1.0
C14 A:C941297 2.7 48.8 1.0
CZ A:PHE82 3.0 18.6 1.0
O A:LEU83 3.2 22.2 1.0
C A:HIS84 3.2 24.6 1.0
CE1 A:PHE82 3.6 19.5 1.0
C16 A:C941297 3.6 49.7 1.0
CE2 A:PHE82 3.8 20.7 1.0
CA A:HIS84 3.9 24.8 1.0
O4 A:C941297 4.0 51.5 1.0
N A:GLN85 4.1 24.2 1.0
C13 A:C941297 4.1 48.2 1.0
C A:LEU83 4.1 23.1 1.0
CA A:GLN85 4.2 23.6 1.0
S2 A:C941297 4.4 50.3 1.0
N A:HIS84 4.5 23.8 1.0
CD1 A:ILE10 4.6 50.5 1.0
CG2 A:ILE10 4.7 51.4 1.0
C17 A:C941297 4.7 49.8 1.0
CD1 A:PHE82 4.7 19.3 1.0
O3 A:C941297 4.8 49.3 1.0
C18 A:C941297 4.9 49.7 1.0
CD2 A:PHE82 4.9 20.4 1.0
CB A:GLN85 5.0 23.7 1.0

Fluorine binding site 3 out of 6 in 2uzl

Go back to Fluorine Binding Sites List in 2uzl
Fluorine binding site 3 out of 6 in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor


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 Human CDK2 Complexed with A Thiazolidinone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1297

b:50.1
occ:1.00
F25 A:C941297 0.0 50.1 1.0
C24 A:C941297 1.3 49.9 1.0
F27 A:C941297 2.2 51.3 1.0
F26 A:C941297 2.2 51.6 1.0
C15 A:C941297 2.3 49.6 1.0
O4 A:C941297 2.6 51.5 1.0
CG2 A:ILE10 3.1 51.4 1.0
C16 A:C941297 3.2 49.7 1.0
C14 A:C941297 3.2 48.8 1.0
CB A:ILE10 3.3 51.6 1.0
S2 A:C941297 3.5 50.3 1.0
O A:HIS84 4.0 24.6 1.0
CD1 A:ILE10 4.0 50.5 1.0
CG1 A:ILE10 4.3 51.0 1.0
CZ A:PHE82 4.4 18.6 1.0
O3 A:C941297 4.4 49.3 1.0
C17 A:C941297 4.4 49.8 1.0
C13 A:C941297 4.5 48.2 1.0
CA A:ILE10 4.5 52.0 1.0
CE1 A:PHE82 4.5 19.5 1.0
O A:ILE10 4.6 53.6 1.0
N6 A:C941297 4.6 49.9 1.0
C18 A:C941297 4.9 49.7 1.0

Fluorine binding site 4 out of 6 in 2uzl

Go back to Fluorine Binding Sites List in 2uzl
Fluorine binding site 4 out of 6 in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor


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 Human CDK2 Complexed with A Thiazolidinone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1297

b:55.3
occ:1.00
F26 C:C941297 0.0 55.3 1.0
C24 C:C941297 1.3 52.7 1.0
F25 C:C941297 2.2 53.8 1.0
F27 C:C941297 2.2 54.8 1.0
C15 C:C941297 2.3 51.9 1.0
O C:HIS84 2.4 21.9 1.0
O3 C:C941297 2.4 53.4 1.0
S2 C:C941297 2.8 52.8 1.0
C16 C:C941297 2.9 51.7 1.0
O4 C:C941297 2.9 52.4 1.0
CA C:GLN85 3.3 20.8 1.0
C C:HIS84 3.4 22.2 1.0
C14 C:C941297 3.5 50.2 1.0
CB C:GLN85 3.5 21.1 1.0
N C:GLN85 3.8 21.2 1.0
O C:HOH2001 4.2 42.2 1.0
C17 C:C941297 4.2 51.6 1.0
N6 C:C941297 4.4 52.2 1.0
O C:LEU83 4.6 21.2 1.0
C C:GLN85 4.6 20.3 1.0
CA C:HIS84 4.6 22.8 1.0
C13 C:C941297 4.7 48.5 1.0
N C:ASP86 4.8 20.1 1.0
C18 C:C941297 4.9 51.0 1.0

Fluorine binding site 5 out of 6 in 2uzl

Go back to Fluorine Binding Sites List in 2uzl
Fluorine binding site 5 out of 6 in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor


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 Human CDK2 Complexed with A Thiazolidinone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1297

b:54.8
occ:1.00
F27 C:C941297 0.0 54.8 1.0
C24 C:C941297 1.3 52.7 1.0
F25 C:C941297 2.2 53.8 1.0
F26 C:C941297 2.2 55.3 1.0
C15 C:C941297 2.3 51.9 1.0
C14 C:C941297 2.7 50.2 1.0
O C:HIS84 2.7 21.9 1.0
CZ C:PHE82 3.0 16.3 1.0
O C:LEU83 3.3 21.2 1.0
C C:HIS84 3.5 22.2 1.0
CE1 C:PHE82 3.5 15.6 1.0
C16 C:C941297 3.6 51.7 1.0
O C:HOH2001 3.9 42.2 1.0
CE2 C:PHE82 4.0 17.5 1.0
O3 C:C941297 4.0 53.4 1.0
C13 C:C941297 4.1 48.5 1.0
CA C:HIS84 4.1 22.8 1.0
CD1 C:ILE10 4.2 48.3 1.0
N C:GLN85 4.3 21.2 1.0
C C:LEU83 4.3 21.2 1.0
S2 C:C941297 4.4 52.8 1.0
CA C:GLN85 4.4 20.8 1.0
CG2 C:ILE10 4.6 48.8 1.0
CD1 C:PHE82 4.7 15.6 1.0
N C:HIS84 4.7 21.9 1.0
C17 C:C941297 4.7 51.6 1.0
O4 C:C941297 4.8 52.4 1.0
CB C:ILE10 4.9 49.3 1.0
C18 C:C941297 4.9 51.0 1.0

Fluorine binding site 6 out of 6 in 2uzl

Go back to Fluorine Binding Sites List in 2uzl
Fluorine binding site 6 out of 6 in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor


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 Human CDK2 Complexed with A Thiazolidinone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1297

b:53.8
occ:1.00
F25 C:C941297 0.0 53.8 1.0
C24 C:C941297 1.3 52.7 1.0
F27 C:C941297 2.2 54.8 1.0
F26 C:C941297 2.2 55.3 1.0
C15 C:C941297 2.3 51.9 1.0
O3 C:C941297 2.5 53.4 1.0
O C:HOH2001 3.0 42.2 1.0
C16 C:C941297 3.1 51.7 1.0
C14 C:C941297 3.3 50.2 1.0
S2 C:C941297 3.3 52.8 1.0
CG2 C:ILE10 3.4 48.8 1.0
CB C:ILE10 3.5 49.3 1.0
CD1 C:ILE10 4.0 48.3 1.0
O C:HIS84 4.1 21.9 1.0
O4 C:C941297 4.2 52.4 1.0
CG1 C:ILE10 4.3 48.9 1.0
C17 C:C941297 4.3 51.6 1.0
N6 C:C941297 4.5 52.2 1.0
C13 C:C941297 4.5 48.5 1.0
O C:ILE10 4.5 50.7 1.0
CA C:ILE10 4.6 49.4 1.0
CZ C:PHE82 4.8 16.3 1.0
C18 C:C941297 4.9 51.0 1.0
CE1 C:PHE82 4.9 15.6 1.0

Reference:

C.M.Richardson, C.L.Nunns, D.S.Williamson, M.J.Parratt, P.Dokurno, R.Howes, J.Borgognoni, M.J.Drysdale, H.Finch, R.E.Hubbard, P.S.Jackson, P.Kierstan, G.Lentzen, J.D.Moore, J.B.Murray, H.Simmonite, A.E.Surgenor, C.J.Torrance. Discovery of A Potent CDK2 Inhibitor with A Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett. V. 17 3880 2007.
ISSN: ISSN 0960-894X
PubMed: 17570665
DOI: 10.1016/J.BMCL.2007.04.110
Page generated: Mon Jul 14 14:21:16 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy