Structure of PDB 8uw9 Chain A Binding Site BS02

Receptor Information
>8uw9 Chain A (length=388) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVAIVKEGWLHKRGKYIKTWRPRYFLLKNDGTFIGYKERPQDEAPLNNFS
VAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTV
ADGLKKQEEEEMDASAEHTDMERVTMNEFEYLKLLGKGTFGKVILVKEKA
TGRYYAMKILKKEVIVRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGG
ELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLD
KDGHIKITDFGLCKEGITFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMY
EMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQ
RLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8uw9 Chain A Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8uw9 Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K17 C296 C310
Binding residue
(residue number reindexed from 1)		K15 C263 C270
Annotation score1
External links
PDB RCSB:8uw9, PDBe:8uw9, PDBj:8uw9
PDBsum8uw9
PubMed
UniProtP31749|AKT1_HUMAN RAC-alpha serine/threonine-protein kinase (Gene Name=AKT1)

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