Structure of PDB 4uwh Chain A

Receptor sequence
>4uwhA (length=554) Species: 9606 (Homo sapiens) [Search protein sequence]
DLKPNAATRDQLNIIVSYPPTKQLTYEEQDLVWKFRYYLTNQEKALTKFL
KCVNWDLPQEAKQALELLGKWKPMDVEDSLELLSSHYTNPTVRRYAVARL
RQADDEDLLMYLLQLVQALKYENFDDIKNGLEPINSAEIDSSQIITSPLP
NLEQDLCTFLISRACKNSTLANYLYWYVIVECEDQDTQQRDPKTHEMYLN
VMRRFSQALLKGDKSVRVMRSLLAAQQTFVDRLVHLMKAVQRESGNRKKK
NERLQALLGDNEKMNLSDVELIPLPLEPQVKIRGIIPETATLFKSALMPA
QLFFKTEDGGKYPVIFKHGDDLRQDQLILQIISLMDKLLRKENLDLKLTP
YKVLATSTKHGFMQFIQSVPVAEVLDTEGSIQNFFRKYAPSENGPNGISA
EVMDTYVKSCAGYCVITYILGVGDRHLDNLLLTKTGKLFHIDFGYILGRD
PKPLPPPMKLNKEMVEGMGGTQSEQYQEFRKQCYTAFLHLRRYSNLILNL
FSLMVDANIPDIALEPDKTVKKVQDKFRLDLSDEEAVHYMQSLIDESVHA
LFAA
3D structure
PDB4uwh Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
ChainA
Resolution1.93 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.1.137: phosphatidylinositol 3-kinase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 JXM A F612 P618 I634 K636 Y670 M682 Q683 F684 I685 L750 I760 F293 P299 I315 K317 Y351 M363 Q364 F365 I366 L431 I441 MOAD: ic50=3nM
PDBbind-CN: -logKd/Ki=8.52,IC50=3nM
BindingDB: IC50=3.0nM
Gene Ontology
Molecular Function
GO:0016301 kinase activity
Biological Process
GO:0046854 phosphatidylinositol phosphate biosynthetic process

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:4uwh, PDBe:4uwh, PDBj:4uwh
PDBsum4uwh
PubMed25402320
UniProtQ8NEB9|PK3C3_HUMAN Phosphatidylinositol 3-kinase catalytic subunit type 3 (Gene Name=PIK3C3)

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