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Related entries of code: 4waf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3zimRCSB PDB    PDBbind940aa, >3ZIM_1|Chain... at 100%
4jpsRCSB PDB    PDBbind1074aa, >4JPS_1|Chain... at 99%
4l23RCSB PDB    PDBbind324aa, >4L23_2|Chain... at 93%
4tv3RCSB PDB    PDBbind946aa, >4TV3_1|Chain... at 99%
4yknRCSB PDB    PDBbind1383aa, >4YKN_1|Chain... *
5dxhRCSB PDB    PDBbind169aa, >5DXH_2|Chains... at 97%
5dxtRCSB PDB    PDBbind962aa, >5DXT_1|Chain... at 100%
5itdRCSB PDB    PDBbind323aa, >5ITD_2|Chain... at 92%
5swgRCSB PDB    PDBbind279aa, >5SWG_2|Chain... at 100%
5sxkRCSB PDB    PDBbind1096aa, >5SXK_1|Chain... at 97%
5uk8RCSB PDB    PDBbind293aa, >5UK8_2|Chain... at 94%
5ukjRCSB PDB    PDBbind293aa, >5UKJ_2|Chain... at 94%
5ul1RCSB PDB    PDBbind293aa, >5UL1_2|Chain... at 94%
6pysRCSB PDB    PDBbind945aa, >6PYS_1|Chain... at 100%
6oacRCSB PDB    PDBbind948aa, >6OAC_1|Chain... at 99%
6gviRCSB PDB    PDBbind962aa, >6GVI_1|Chain... at 100%
6gvhRCSB PDB    PDBbind962aa, >6GVH_1|Chain... at 100%
6gvfRCSB PDB    PDBbind945aa, >6GVF_1|Chain... at 100%
6gvgRCSB PDB    PDBbind962aa, >6GVG_1|Chain... at 100%
5xghRCSB PDB    PDBbind277aa, >5XGH_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ukjRCSB PDB    PDBbind3K6
Entry Information
PDB ID4waf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform PI3K-alpha I800M-F930V double mutant
Ligand Name3K6
EC.Number E.C.2.7.1.153
Resolution 2.39(Å)
Affinity (Kd/Ki/IC50)IC50>=10uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acs Med.Chem.Lett. Vol. 6: pp. 37-41
Ligand Properties
Formula C22H24N6O2S
Molecular Weight 436.530
Exact Mass 436.168
No. of atoms 55
No. of bonds 59
Polar Surface Area 95.5
LOGP Value 2.19      (Computed with XLOGP3)
4.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P27986  P42336  
Entrez Gene IDNCBI Entrez Gene ID: 5295  5290  
ASDInformation of known allosteric effects of PDB entries
 
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