Atomistry » Chlorine » PDB 3ck1-3csv » 3cr0
Atomistry »
  Chlorine »
    PDB 3ck1-3csv »
      3cr0 »

Chlorine in PDB 3cr0: WEE1 Kinase Complex with Inhibitor PD259_809

Enzymatic activity of WEE1 Kinase Complex with Inhibitor PD259_809

All present enzymatic activity of WEE1 Kinase Complex with Inhibitor PD259_809:
2.7.10.2;

Protein crystallography data

The structure of WEE1 Kinase Complex with Inhibitor PD259_809, PDB code: 3cr0 was solved by C.J.Squire, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.30
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.659, 69.659, 157.279, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 25.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the WEE1 Kinase Complex with Inhibitor PD259_809 (pdb code 3cr0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the WEE1 Kinase Complex with Inhibitor PD259_809, PDB code: 3cr0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3cr0

Go back to Chlorine Binding Sites List in 3cr0
Chlorine binding site 1 out of 2 in the WEE1 Kinase Complex with Inhibitor PD259_809


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of WEE1 Kinase Complex with Inhibitor PD259_809 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:36.4
occ:1.00
N A:SER430 3.3 39.4 1.0
OG A:SER430 3.4 45.0 1.0
CD A:PRO429 3.5 36.3 1.0
CB A:SER430 3.7 43.9 1.0
NH2 A:ARG481 3.7 49.2 1.0
NH1 A:ARG481 3.7 46.3 1.0
N A:PRO429 3.7 37.3 1.0
CB A:PRO429 4.0 36.5 1.0
CD A:LYS428 4.0 40.0 1.0
CA A:SER430 4.1 41.0 1.0
CB A:ALA385 4.1 37.3 1.0
O A:HOH913 4.1 32.3 1.0
CB A:LYS428 4.1 37.7 1.0
C A:PRO429 4.1 37.9 1.0
CZ A:ARG481 4.1 48.4 1.0
CA A:PRO429 4.2 36.9 1.0
CG A:PRO429 4.2 34.7 1.0
CG A:LYS428 4.3 39.3 1.0
CE1 A:PHE482 4.5 35.0 1.0
C A:LYS428 4.5 38.9 1.0
CZ A:PHE482 4.7 33.9 1.0
CA A:LYS428 4.9 38.8 1.0

Chlorine binding site 2 out of 2 in 3cr0

Go back to Chlorine Binding Sites List in 3cr0
Chlorine binding site 2 out of 2 in the WEE1 Kinase Complex with Inhibitor PD259_809


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of WEE1 Kinase Complex with Inhibitor PD259_809 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:34.3
occ:1.00
CL1 A:809901 0.0 34.3 1.0
C8 A:809901 1.8 28.7 1.0
C9 A:809901 2.7 26.8 1.0
C7 A:809901 2.8 35.9 1.0
C2 A:809901 3.2 36.1 1.0
O2 A:809901 3.3 33.2 1.0
C3 A:809901 3.3 39.9 1.0
C6 A:809901 3.5 37.5 1.0
O A:ALA326 3.6 39.6 1.0
CG1 A:VAL313 3.6 40.6 1.0
C A:ALA326 3.8 39.8 1.0
CB A:LYS328 3.8 41.9 1.0
ND2 A:ASN376 3.8 36.1 1.0
CB A:ALA326 3.9 38.9 1.0
C10 A:809901 4.0 24.7 1.0
N A:LYS328 4.0 43.2 1.0
CB A:ASN376 4.1 38.7 1.0
C12 A:809901 4.1 31.6 1.0
O A:ILE374 4.1 41.9 1.0
C1 A:809901 4.1 37.4 1.0
N A:ILE327 4.2 39.8 1.0
CG A:ASN376 4.3 41.2 1.0
C A:ILE327 4.4 42.6 1.0
C4 A:809901 4.4 39.1 1.0
CA A:ALA326 4.4 39.2 1.0
CA A:ILE327 4.5 41.2 1.0
CA A:LYS328 4.5 42.9 1.0
C11 A:809901 4.5 29.4 1.0
N1 A:809901 4.5 34.7 1.0
N A:ASN376 4.7 40.6 1.0
CD A:LYS328 4.9 49.0 1.0
O A:HOH960 4.9 38.3 1.0
CB A:VAL313 4.9 45.2 1.0
CG2 A:VAL313 4.9 42.6 1.0
CG A:LYS328 4.9 44.4 1.0
C5 A:809901 4.9 34.1 1.0

Reference:

C.J.Squire, E.N.Baker, J.M.Dickson, I.Ivanovic, J.Smaill, W.A.Denny, B.Palmer, A.Thompson. Structural Determinants of WEE1 Inhibitor Selectivity To Be Published.
Page generated: Sat Dec 12 09:37:02 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy