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Chlorine in PDB 5vd5: Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 050, A MK1775 Analougue

Enzymatic activity of Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 050, A MK1775 Analougue

All present enzymatic activity of Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 050, A MK1775 Analougue:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 050, A MK1775 Analougue, PDB code: 5vd5 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) 36.43 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.240, 44.580, 64.650, 90.00, 102.17, 90.00
R / Rfree (%) 19.5 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 050, A MK1775 Analougue (pdb code 5vd5). 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- 050, A MK1775 Analougue, PDB code: 5vd5:

Chlorine binding site 1 out of 1 in 5vd5

Go back to Chlorine Binding Sites List in 5vd5
Chlorine binding site 1 out of 1 in the Crystal Structure of Human WEE1 Kinase Domain in Complex with Rac-IV- 050, A MK1775 Analougue


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- 050, A MK1775 Analougue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:46.3
occ:1.00
 HD2 A:PRO496 3.1 38.8 1.0
HG2 A:PRO496 3.1 35.8 1.0
HA A:HIS494 3.4 41.4 1.0
HG2 A:LYS497 3.4 41.4 1.0
HB2 A:PRO496 3.5 35.1 1.0
HB3 A:HIS494 3.6 43.3 1.0
HE3 A:LYS497 3.6 44.5 1.0
O A:HOH736 3.6 41.4 1.0
O A:HOH761 3.6 55.4 1.0
CG A:PRO496 3.8 29.8 1.0
CD A:PRO496 3.8 32.3 1.0
ND1 A:HIS494 3.9 39.8 1.0
O A:HOH746 4.1 36.3 1.0
CB A:PRO496 4.1 29.3 1.0
CA A:HIS494 4.1 34.5 1.0
CB A:HIS494 4.2 36.1 1.0
CG A:LYS497 4.3 34.5 1.0
H A:LYS497 4.4 35.8 1.0
HG3 A:LYS497 4.4 41.4 1.0
HD3 A:PRO496 4.5 38.8 1.0
CE A:LYS497 4.5 37.0 1.0
CG A:HIS494 4.5 38.7 1.0
C A:HIS494 4.5 32.2 1.0
HZ2 A:LYS497 4.6 47.5 1.0
HG3 A:PRO496 4.7 35.8 1.0
O A:HIS494 4.7 31.8 1.0
N A:PRO496 4.8 28.6 1.0
HB3 A:PRO496 4.8 35.1 1.0
CD A:LYS497 4.8 34.9 1.0
HD3 A:LYS497 4.9 41.9 1.0
O A:THR493 4.9 37.6 1.0
N A:LYS497 4.9 29.8 1.0
NZ A:LYS497 5.0 39.5 1.0
CE1 A:HIS494 5.0 42.3 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 18:48:00 2024

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