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Chlorine in PDB 5vda: Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 101, A MK1775 Analogue

Enzymatic activity of Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 101, A MK1775 Analogue

All present enzymatic activity of Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 101, A MK1775 Analogue:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 101, A MK1775 Analogue, PDB code: 5vda was solved by J.-Y.Zhu, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.16 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.360, 44.640, 64.620, 90.00, 102.18, 90.00
R / Rfree (%) 19.1 / 25.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 101, A MK1775 Analogue (pdb code 5vda). 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 Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 101, A MK1775 Analogue, PDB code: 5vda:

Chlorine binding site 1 out of 1 in 5vda

Go back to Chlorine Binding Sites List in 5vda
Chlorine binding site 1 out of 1 in the Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 101, A MK1775 Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 101, A MK1775 Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:39.6
occ:1.00
 HG2 A:PRO496 3.0 34.1 1.0
HD2 A:PRO496 3.3 33.5 1.0
HA A:HIS494 3.3 38.0 1.0
HG2 A:LYS497 3.4 41.6 1.0
HB3 A:HIS494 3.4 39.6 1.0
HB2 A:PRO496 3.5 33.4 1.0
HE3 A:LYS497 3.5 45.1 1.0
O A:HOH736 3.6 36.1 1.0
CG A:PRO496 3.8 28.4 1.0
ND1 A:HIS494 3.8 36.6 1.0
CD A:PRO496 4.0 27.9 1.0
CA A:HIS494 4.1 31.7 1.0
CB A:HIS494 4.1 33.0 1.0
O A:HOH743 4.1 31.2 1.0
CB A:PRO496 4.1 27.8 1.0
CG A:LYS497 4.2 34.6 1.0
H A:LYS497 4.3 33.2 1.0
HG3 A:LYS497 4.4 41.6 1.0
CG A:HIS494 4.4 35.4 1.0
CE A:LYS497 4.4 37.6 1.0
C A:HIS494 4.5 29.5 1.0
O A:HIS494 4.6 29.1 1.0
HG3 A:PRO496 4.6 34.1 1.0
HD3 A:PRO496 4.7 33.5 1.0
HB3 A:PRO496 4.8 33.4 1.0
HZ2 A:LYS497 4.8 44.5 1.0
CD A:LYS497 4.8 37.4 1.0
N A:PRO496 4.8 26.5 1.0
HD3 A:LYS497 4.9 44.9 1.0
O A:THR493 4.9 34.7 1.0
CE1 A:HIS494 4.9 38.9 1.0
HB2 A:HIS494 4.9 39.6 1.0
N A:LYS497 5.0 27.6 1.0

Reference:

J.-Y.Zhu, E.Schonbrunn. Structural Basis of Wee Family Kinase Inhibition By Small Molecules To Be Published.
Page generated: Fri Jul 26 18:48:32 2024

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