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5OQ4

PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology

Functional Information from GO Data
ChainGOidnamespacecontents
A0016301molecular_functionkinase activity
A0046854biological_processphosphatidylinositol phosphate biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues12
Detailsbinding site for residue A3W A 1201
ChainResidue
AMET804
ALYS890
AASP964
AHOH1303
AILE831
ALYS833
AASP836
AASP841
AGLU880
AILE881
AVAL882
ATHR887

site_idAC2
Number of Residues6
Detailsbinding site for residue SO4 A 1202
ChainResidue
APRO563
AASN565
ALEU567
APRO590
ALYS591
ASER594

site_idAC3
Number of Residues3
Detailsbinding site for residue SO4 A 1203
ChainResidue
AGLU649
ALYS683
AARG687

Functional Information from PROSITE/UniProt
site_idPS00915
Number of Residues15
DetailsPI3_4_KINASE_1 Phosphatidylinositol 3- and 4-kinases signature 1. FKhg.DDLRQDmlilQ
ChainResidueDetails
APHE832-GLN846

site_idPS00916
Number of Residues21
DetailsPI3_4_KINASE_2 Phosphatidylinositol 3- and 4-kinases signature 2. ScAgycVatFVLgIgDRHndN
ChainResidueDetails
ASER931-ASN951

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsRegion: {"description":"G-loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues8
DetailsRegion: {"description":"Catalytic loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues25
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"Phosphothreonine; by PKA","evidences":[{"source":"UniProtKB","id":"Q9JHG7","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

245011

PDB entries from 2025-11-19

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