Browse entries in the PDBbind-CN Database

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Related entries of code: 4mf1
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%
4pp9RCSB PDB    PDBbind266aa, >4PP9_1|Chains... at 97%
4ppaRCSB PDB    PDBbind266aa, >4PPA_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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4mf1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase ITK/TSK
Ligand Name29Y
EC.Number E.C.2.7.10.2
Resolution 2.11(Å)
Affinity (Kd/Ki/IC50)Ki=0.7nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 6331-6335
Ligand Properties
Formula C23H24N5OS
Molecular Weight 418.535
Exact Mass 418.170
No. of atoms 54
No. of bonds 58
Polar Surface Area 103.35
LOGP Value 3.49      (Computed with XLOGP3)
3.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
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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