Browse entries in the PDBbind-CN Database

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Related entries of code: 3vf9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xbbRCSB PDB    PDBbind291aa, >1XBB_1|Chain... at 96%
1xbcRCSB PDB    PDBbind291aa, >1XBC_1|Chain... at 96%
3emgRCSB PDB    PDBbind291aa, >3EMG_1|Chain... at 98%
3fqeRCSB PDB    PDBbind291aa, >3FQE_1|Chain... at 96%
3fqhRCSB PDB    PDBbind291aa, >3FQH_1|Chains... at 96%
3fqsRCSB PDB    PDBbind291aa, >3FQS_1|Chain... at 96%
3srvRCSB PDB    PDBbind277aa, >3SRV_2|Chain... at 99%
3vf8RCSB PDB    PDBbind299aa, >3VF8_1|Chain... at 97%
4dflRCSB PDB    PDBbind274aa, >4DFL_1|Chain... at 99%
4dfnRCSB PDB    PDBbind274aa, >4DFN_1|Chain... at 99%
4f4pRCSB PDB    PDBbind273aa, >4F4P_1|Chain... at 99%
4fl1RCSB PDB    PDBbind291aa, >4FL1_1|Chain... at 96%
4fl2RCSB PDB    PDBbind636aa, >4FL2_1|Chain... *
4fl3RCSB PDB    PDBbind635aa, >4FL3_1|Chain... at 99%
4fyoRCSB PDB    PDBbind291aa, >4FYO_1|Chain... at 96%
4fz6RCSB PDB    PDBbind291aa, >4FZ6_1|Chain... at 96%
4i0rRCSB PDB    PDBbind291aa, >4I0R_1|Chain... at 96%
4i0sRCSB PDB    PDBbind291aa, >4I0S_1|Chain... at 96%
4i0tRCSB PDB    PDBbind291aa, >4I0T_1|Chain... at 96%
4puzRCSB PDB    PDBbind291aa, >4PUZ_1|Chains... at 96%
4pv0RCSB PDB    PDBbind275aa, >4PV0_1|Chain... at 99%
4px6RCSB PDB    PDBbind291aa, >4PX6_1|Chain... at 95%
4rssRCSB PDB    PDBbind290aa, >4RSS_1|Chain... at 96%
4rx7RCSB PDB    PDBbind289aa, >4RX7_1|Chain... at 96%
4rx8RCSB PDB    PDBbind289aa, >4RX8_1|Chain... at 96%
4rx9RCSB PDB    PDBbind290aa, >4RX9_1|Chain... at 96%
4wnmRCSB PDB    PDBbind299aa, >4WNM_1|Chain... at 97%
4xg3RCSB PDB    PDBbind290aa, >4XG3_1|Chains... at 96%
4xg4RCSB PDB    PDBbind290aa, >4XG4_1|Chain... at 96%
4xg6RCSB PDB    PDBbind290aa, >4XG6_1|Chain... at 96%
4xg7RCSB PDB    PDBbind290aa, >4XG7_1|Chain... at 96%
4xg8RCSB PDB    PDBbind290aa, >4XG8_1|Chains... at 96%
4xg9RCSB PDB    PDBbind290aa, >4XG9_1|Chains... at 96%
5c26RCSB PDB    PDBbind299aa, >5C26_1|Chain... at 97%
5cxhRCSB PDB    PDBbind289aa, >5CXH_1|Chain... at 96%
5cxzRCSB PDB    PDBbind289aa, >5CXZ_1|Chain... at 96%
5cy3RCSB PDB    PDBbind291aa, >5CY3_1|Chain... at 95%
5ghvRCSB PDB    PDBbind290aa, >5GHV_1|Chains... at 96%
5lmaRCSB PDB    PDBbind277aa, >5LMA_1|Chain... at 99%
5lmbRCSB PDB    PDBbind277aa, >5LMB_1|Chains... at 99%
5t68RCSB PDB    PDBbind291aa, >5T68_1|Chains... at 96%
5tiuRCSB PDB    PDBbind291aa, >5TIU_1|Chain... at 96%
5tr6RCSB PDB    PDBbind289aa, >5TR6_1|Chain... at 96%
5tt7RCSB PDB    PDBbind289aa, >5TT7_1|Chain... at 96%
5y5tRCSB PDB    PDBbind293aa, >5Y5T_1|Chain... at 95%
5y5uRCSB PDB    PDBbind293aa, >5Y5U_1|Chains... at 95%
6hm6RCSB PDB    PDBbind276aa, >6HM6_1|Chain... at 100%
6hm7RCSB PDB    PDBbind276aa, >6HM7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3v8tRCSB PDB    PDBbind477
Entry Information
PDB ID3vf9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInterleukin-2 Inducible T-cell Kinase Itk Catalytic Domain
Ligand Name477
EC.Number E.C.2.7.10.2
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=1.9nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 3296-3300
Ligand Properties
Formula C16H15N3OS
Molecular Weight 297.375
Exact Mass 297.094
No. of atoms 36
No. of bonds 39
Polar Surface Area 92.94
LOGP Value 2.85      (Computed with XLOGP3)
4.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): P43405  
Entrez Gene IDNCBI Entrez Gene ID: 6850  
ASDInformation of known allosteric effects of PDB entries
 
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