Structure of PDB 4uwl Chain A

Receptor sequence
>4uwlA (length=543) Species: 9606 (Homo sapiens) [Search protein sequence]
LKPNAATRDQLNIIVSYPPTKQLTYEEQDLVWKFRYYLTNQEKALTKFLK
CVNWDLPQEAKQALELLGKWKPMDVEDSLELLSSHYTNPTVRRYAVARLR
QADDEDLLMYLLQLVQALKYENFDDIKNGLEEIDSSQIITSPLPLEQDLC
TFLISRACKNSTLANYLYWYVIVECEDQDTQQRDPKTHEMYLNVMRRFSQ
ALLKGDKSVRVMRSLLAAQQTFVDRLVHLMKAVQRESGNRKKKNERLQAL
LGDNEKMNLSDVELIPLPLEPQVKIRGIIPETATLFKSALMPAQLFFKTE
DGGKYPVIFKHGDDLRQDQLILQIISLMDKLLRKENLDLKLTPYKVLATS
TKHGFMQFIQSVPVAEVLDTEGSIQNFFRKYAPSENGPNGISAEVMDTYV
KSCAGYCVITYILGVGDRHLDNLLLTKTGKLFHIDFGYILGRDPKPLPPP
MKLNKEMVEGMGGTQSEQYQEFRKQCYTAFLHLRRYSNLILNLFSLMVDA
NIPDIALEPDKTVKKVQDKFRLDLSDEEAVHYMQSLIDESVHA
3D structure
PDB4uwl 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
Resolution2.8 Å
3D
structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 7A5 A F612 S614 P618 I634 Y670 M682 Q683 F684 I685 I760 D761 F286 S288 P292 I308 Y344 M356 Q357 F358 I359 I434 D435 PDBbind-CN: -logKd/Ki=8.57,Kd=2.7nM
BindingDB: IC50=82nM
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:4uwl, PDBe:4uwl, PDBj:4uwl
PDBsum4uwl
PubMed25402320
UniProtQ8NEB9|PK3C3_HUMAN Phosphatidylinositol 3-kinase catalytic subunit type 3 (Gene Name=PIK3C3)

[Back to BioLiP]