Browse entries in the PDBbind-CN Database

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Related entries of code: 4ppa
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1sm2RCSB PDB    PDBbind264aa, >1SM2_1|Chains... at 98%
3miyRCSB PDB    PDBbind266aa, >3MIY_1|Chains... at 96%
3mj1RCSB PDB    PDBbind266aa, >3MJ1_1|Chain... at 96%
3mj2RCSB PDB    PDBbind266aa, >3MJ2_1|Chain... at 96%
3qgwRCSB PDB    PDBbind286aa, >3QGW_1|Chains... *
3qgyRCSB PDB    PDBbind286aa, >3QGY_1|Chains... at 100%
3t9tRCSB PDB    PDBbind267aa, >3T9T_1|Chain... at 97%
3v5jRCSB PDB    PDBbind266aa, >3V5J_1|Chains... at 98%
3v5lRCSB PDB    PDBbind266aa, >3V5L_1|Chains... at 98%
3v8tRCSB PDB    PDBbind266aa, >3V8T_1|Chains... at 98%
3v8wRCSB PDB    PDBbind266aa, >3V8W_1|Chains... at 98%
4hctRCSB PDB    PDBbind269aa, >4HCT_1|Chain... at 97%
4hcuRCSB PDB    PDBbind269aa, >4HCU_1|Chain... at 97%
4hcvRCSB PDB    PDBbind269aa, >4HCV_1|Chain... at 97%
4kioRCSB PDB    PDBbind266aa, >4KIO_1|Chains... at 97%
4m0yRCSB PDB    PDBbind269aa, >4M0Y_1|Chain... at 97%
4m0zRCSB PDB    PDBbind269aa, >4M0Z_1|Chain... at 97%
4m12RCSB PDB    PDBbind269aa, >4M12_1|Chain... at 97%
4m13RCSB PDB    PDBbind269aa, >4M13_1|Chain... at 97%
4m14RCSB PDB    PDBbind269aa, >4M14_1|Chain... at 97%
4mf0RCSB PDB    PDBbind266aa, >4MF0_1|Chains... at 97%
4mf1RCSB PDB    PDBbind266aa, >4MF1_1|Chains... at 96%
4pp9RCSB PDB    PDBbind266aa, >4PP9_1|Chains... at 97%
4ppbRCSB PDB    PDBbind266aa, >4PPB_1|Chains... at 97%
4ppcRCSB PDB    PDBbind266aa, >4PPC_1|Chains... at 97%
4pqnRCSB PDB    PDBbind266aa, >4PQN_1|Chain... at 96%
4qd6RCSB PDB    PDBbind266aa, >4QD6_1|Chains... at 97%
4rfmRCSB PDB    PDBbind266aa, >4RFM_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4prjRCSB PDB    PDBbind2VU
Entry Information
PDB ID4ppa
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase ITK
Ligand Name2VU
EC.Number E.C.2.7.10.2
Resolution 2.67(Å)
Affinity (Kd/Ki/IC50)Ki=0.8nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 2448-2452
Ligand Properties
Formula C22H16N8O
Molecular Weight 408.415
Exact Mass 408.145
No. of atoms 47
No. of bonds 51
Polar Surface Area 128.07
LOGP Value 2.27      (Computed with XLOGP3)
3.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
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): Q08881  
Entrez Gene IDNCBI Entrez Gene ID: 3702  
ASDInformation of known allosteric effects of PDB entries
 
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