Chlorine in PDB 8c8c: Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase Type-2 Alpha (PI5P4KA) Bound to An Inhibitor

Enzymatic activity of Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase Type-2 Alpha (PI5P4KA) Bound to An Inhibitor

All present enzymatic activity of Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase Type-2 Alpha (PI5P4KA) Bound to An Inhibitor:
2.7.1.149;

Protein crystallography data

The structure of Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase Type-2 Alpha (PI5P4KA) Bound to An Inhibitor, PDB code: 8c8c was solved by S.P.D.Harborne, T.D.Howard, D.T.Ogg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.50 / 2.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 70.661, 84.935, 128.346, 90, 90, 90
R / Rfree (%) 21.7 / 28.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase Type-2 Alpha (PI5P4KA) Bound to An Inhibitor (pdb code 8c8c). 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 Phosphatidylinositol 5-Phosphate 4-Kinase Type-2 Alpha (PI5P4KA) Bound to An Inhibitor, PDB code: 8c8c:

Chlorine binding site 1 out of 1 in 8c8c

Go back to Chlorine Binding Sites List in 8c8c
Chlorine binding site 1 out of 1 in the Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase Type-2 Alpha (PI5P4KA) Bound to An Inhibitor


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 Phosphatidylinositol 5-Phosphate 4-Kinase Type-2 Alpha (PI5P4KA) Bound to An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:57.7
occ:1.00
 CL1 A:U1U501 0.0 57.7 1.0
C21 A:U1U501 1.7 54.7 1.0
C2 A:U1U501 2.7 53.0 1.0
C20 A:U1U501 2.7 46.6 1.0
O1 A:U1U501 2.8 55.0 1.0
CG2 A:THR232 3.5 59.8 1.0
CB A:LEU230 3.9 74.0 1.0
CD A:PRO231 4.0 73.1 1.0
C3 A:U1U501 4.0 47.7 1.0
CG A:PRO231 4.0 75.1 1.0
C5 A:U1U501 4.0 43.4 1.0
CD2 A:LEU230 4.1 71.2 1.0
C1 A:U1U501 4.2 55.0 1.0
CD1 A:LEU230 4.3 64.4 1.0
CG A:LEU230 4.3 68.7 1.0
CD A:LYS209 4.3 71.8 1.0
O A:PRO231 4.4 78.4 1.0
CZ A:PHE134 4.5 52.9 1.0
CD1 A:LEU277 4.5 61.9 1.0
C4 A:U1U501 4.5 47.8 1.0
N A:PRO231 4.5 71.0 1.0
CE A:LYS209 4.5 72.2 1.0
CE2 A:PHE134 4.7 53.5 1.0
C10 A:U1U501 4.7 42.2 1.0
C A:PRO231 4.7 71.5 1.0
CE2 A:PHE200 4.8 49.1 1.0
CA A:LEU230 4.9 74.5 1.0
CB A:THR232 5.0 61.2 1.0

Reference:

S.P.D.Harborne, T.D.Howard, D.T.Ogg. Identification of ARUK2002821 As An Isoform-Selective PI5P4KA Inhibitor Rsc Med Chem 2023.
ISSN: ESSN 2632-8682
DOI: 10.1039/D3MD00039G
Page generated: Tue Jul 30 07:47:00 2024

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