Browse entries in the PDBbind-CN Database

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Related entries of code: 3qaq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2a4zRCSB PDB    PDBbind966aa, >2A4Z_1|Chain... at 99%
2a5uRCSB PDB    PDBbind966aa, >2A5U_1|Chain... at 99%
2chwRCSB PDB    PDBbind966aa, >2CHW_1|Chain... at 99%
2chxRCSB PDB    PDBbind966aa, >2CHX_1|Chain... at 99%
2chzRCSB PDB    PDBbind966aa, >2CHZ_1|Chain... at 99%
3apcRCSB PDB    PDBbind966aa, >3APC_1|Chain... at 99%
3cstRCSB PDB    PDBbind966aa, >3CST_1|Chain... at 99%
3dbsRCSB PDB    PDBbind960aa, >3DBS_1|Chain... at 99%
3dpdRCSB PDB    PDBbind966aa, >3DPD_1|Chain... at 99%
3l08RCSB PDB    PDBbind966aa, >3L08_1|Chain... at 99%
3l13RCSB PDB    PDBbind960aa, >3L13_1|Chain... at 99%
3l16RCSB PDB    PDBbind966aa, >3L16_1|Chain... at 99%
3l17RCSB PDB    PDBbind966aa, >3L17_1|Chain... at 99%
3l54RCSB PDB    PDBbind966aa, >3L54_1|Chain... at 99%
3lj3RCSB PDB    PDBbind966aa, >3LJ3_1|Chain... at 99%
3nzsRCSB PDB    PDBbind954aa, >3NZS_1|Chain... at 100%
3nzuRCSB PDB    PDBbind954aa, >3NZU_1|Chain... at 100%
3oawRCSB PDB    PDBbind966aa, >3OAW_1|Chain... at 99%
3przRCSB PDB    PDBbind966aa, >3PRZ_1|Chain... at 99%
3ps6RCSB PDB    PDBbind966aa, >3PS6_1|Chain... at 99%
3qarRCSB PDB    PDBbind960aa, >3QAR_1|Chain... at 99%
3qk0RCSB PDB    PDBbind960aa, >3QK0_1|Chain... at 99%
3r7qRCSB PDB    PDBbind966aa, >3R7Q_1|Chain... at 99%
3r7rRCSB PDB    PDBbind966aa, >3R7R_1|Chain... at 99%
3s2aRCSB PDB    PDBbind960aa, >3S2A_1|Chain... at 99%
3sd5RCSB PDB    PDBbind966aa, >3SD5_1|Chain... at 99%
3tl5RCSB PDB    PDBbind966aa, >3TL5_1|Chain... at 99%
3zvvRCSB PDB    PDBbind966aa, >3ZVV_1|Chain... at 99%
3zw3RCSB PDB    PDBbind966aa, >3ZW3_1|Chain... at 99%
4anuRCSB PDB    PDBbind980aa, >4ANU_1|Chain... *
4anvRCSB PDB    PDBbind980aa, >4ANV_1|Chain... at 99%
4anwRCSB PDB    PDBbind980aa, >4ANW_1|Chain... at 100%
4anxRCSB PDB    PDBbind980aa, >4ANX_1|Chain... at 99%
4aofRCSB PDB    PDBbind960aa, >4AOF_1|Chain... at 99%
4dk5RCSB PDB    PDBbind959aa, >4DK5_1|Chain... at 100%
4ezjRCSB PDB    PDBbind966aa, >4EZJ_1|Chain... at 99%
4ezkRCSB PDB    PDBbind966aa, >4EZK_1|Chain... at 99%
4ezlRCSB PDB    PDBbind966aa, >4EZL_1|Chain... at 99%
4f1sRCSB PDB    PDBbind960aa, >4F1S_1|Chain... at 99%
4fjzRCSB PDB    PDBbind960aa, >4FJZ_1|Chain... at 99%
4flhRCSB PDB    PDBbind960aa, >4FLH_1|Chain... at 99%
4g11RCSB PDB    PDBbind966aa, >4G11_1|Chain... at 99%
4gb9RCSB PDB    PDBbind966aa, >4GB9_1|Chain... at 99%
4hvbRCSB PDB    PDBbind966aa, >4HVB_1|Chain... at 99%
4j6iRCSB PDB    PDBbind966aa, >4J6I_1|Chain... at 99%
4kz0RCSB PDB    PDBbind966aa, >4KZ0_1|Chain... at 99%
4kzcRCSB PDB    PDBbind966aa, >4KZC_1|Chain... at 99%
4ps3RCSB PDB    PDBbind966aa, >4PS3_1|Chain... at 99%
4ps7RCSB PDB    PDBbind966aa, >4PS7_1|Chain... at 99%
4ps8RCSB PDB    PDBbind966aa, >4PS8_1|Chain... at 99%
4urkRCSB PDB    PDBbind966aa, >4URK_1|Chain... at 99%
4wwnRCSB PDB    PDBbind959aa, >4WWN_1|Chain... at 100%
4wwoRCSB PDB    PDBbind959aa, >4WWO_1|Chain... at 100%
4wwpRCSB PDB    PDBbind959aa, >4WWP_1|Chain... at 100%
5edsRCSB PDB    PDBbind959aa, >5EDS_1|Chain... at 100%
5g2nRCSB PDB    PDBbind980aa, >5G2N_1|Chain... at 100%
5jhaRCSB PDB    PDBbind960aa, >5JHA_1|Chain... at 99%
5jhbRCSB PDB    PDBbind960aa, >5JHB_1|Chain... at 99%
5oq4RCSB PDB    PDBbind966aa, >5OQ4_1|Chain... at 99%
5t23RCSB PDB    PDBbind966aa, >5T23_1|Chain... at 99%
6audRCSB PDB    PDBbind966aa, >6AUD_1|Chain... at 99%
6c1sRCSB PDB    PDBbind971aa, >6C1S_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3qaq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePI3K-gamma catalytic domain
Ligand NameQAQ
EC.Number E.C.2.7.1.153
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=0.10uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg. Med. Chem. Lett. Vol. 21: pp. 2064-2070
Ligand Properties
Formula C18H14N8O
Molecular Weight 358.357
Exact Mass 358.129
No. of atoms 41
No. of bonds 44
Polar Surface Area 124.57
LOGP Value 3.11      (Computed with XLOGP3)
2.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
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): P48736  
Entrez Gene IDNCBI Entrez Gene ID: 5294  
ASDInformation of known allosteric effects of PDB entries
 
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