Atomistry » Chlorine » PDB 4bbz-4bjy » 4bdc
Atomistry »
  Chlorine »
    PDB 4bbz-4bjy »
      4bdc »

Chlorine in PDB 4bdc: Fragment-Based Screening Identifies A New Area For Inhibitor Binding to Checkpoint Kinase 2 (CHK2)

Enzymatic activity of Fragment-Based Screening Identifies A New Area For Inhibitor Binding to Checkpoint Kinase 2 (CHK2)

All present enzymatic activity of Fragment-Based Screening Identifies A New Area For Inhibitor Binding to Checkpoint Kinase 2 (CHK2):
2.7.11.1;

Protein crystallography data

The structure of Fragment-Based Screening Identifies A New Area For Inhibitor Binding to Checkpoint Kinase 2 (CHK2), PDB code: 4bdc was solved by M.C.Silva-Santisteban, I.M.Westwood, K.Boxall, N.Brown, S.Peacock, C.Mcandrew, E.Barrie, M.Richards, A.Mirza, A.W.Oliver, R.Burke, S.Hoelder, K.Jones, G.W.Aherne, J.Blagg, I.Collins, M.D.Garrett, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.92 / 3.00
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 91.104, 91.104, 93.194, 90.00, 90.00, 120.00
R / Rfree (%) 16.78 / 21.33

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fragment-Based Screening Identifies A New Area For Inhibitor Binding to Checkpoint Kinase 2 (CHK2) (pdb code 4bdc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Fragment-Based Screening Identifies A New Area For Inhibitor Binding to Checkpoint Kinase 2 (CHK2), PDB code: 4bdc:

Chlorine binding site 1 out of 1 in 4bdc

Go back to Chlorine Binding Sites List in 4bdc
Chlorine binding site 1 out of 1 in the Fragment-Based Screening Identifies A New Area For Inhibitor Binding to Checkpoint Kinase 2 (CHK2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fragment-Based Screening Identifies A New Area For Inhibitor Binding to Checkpoint Kinase 2 (CHK2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1515

b:0.1
occ:1.00
CG1 A:VAL211 3.6 99.6 1.0
CA A:VAL211 3.6 94.1 1.0
CB A:VAL211 3.6 98.5 1.0
N A:TYR212 3.7 85.6 1.0
CD2 A:TYR212 3.7 85.8 1.0
CE2 A:TYR212 4.2 86.7 1.0
C A:VAL211 4.2 93.6 1.0
CG A:TYR212 4.5 83.9 1.0
O A:SER210 4.7 0.2 1.0
CD A:ARG217 4.8 72.2 1.0
CB A:TYR212 4.9 82.2 1.0
CA A:TYR212 4.9 82.1 1.0
N A:VAL211 4.9 97.1 1.0

Reference:

M.C.Silva-Santisteban, I.M.Westwood, K.Boxall, N.Brown, S.Peacock, C.Mcandrew, E.Barrie, M.Richards, A.Mirza, A.W.Oliver, R.Burke, S.Hoelder, K.Jones, G.W.Aherne, J.Blagg, I.Collins, M.D.Garrett, R.L.Van Montfort. Fragment-Based Screening Maps Inhibitor Interactions in the Atp-Binding Site of Checkpoint Kinase 2. Plos One V. 8 65689 2013.
ISSN: ISSN 1932-6203
PubMed: 23776527
DOI: 10.1371/JOURNAL.PONE.0065689
Page generated: Fri Jul 11 13:18:45 2025

Last articles

Eu in 3LGR
Eu in 3OJO
Eu in 2P1X
Eu in 2PE7
Eu in 2YAT
Eu in 2FBY
Eu in 1WC4
Eu in 1JHW
Eu in 1BUB
Eu in 1QSL
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy