Browse entries in the PDBbind-CN Database

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Related entries of code: 1sm2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
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
1aq1RCSB PDB    PDBbindSTU
1nvrRCSB PDB    PDBbindSTU
1okyRCSB PDB    PDBbindSTU
1q3dRCSB PDB    PDBbindSTU
1stcRCSB PDB    PDBbindSTU
1u59RCSB PDB    PDBbindSTU
1xbcRCSB PDB    PDBbindSTU
1xjdRCSB PDB    PDBbindSTU
1yhsRCSB PDB    PDBbindSTU
2dq7RCSB PDB    PDBbindSTU
2gcdRCSB PDB    PDBbindSTU
2oicRCSB PDB    PDBbindSTU
2z7rRCSB PDB    PDBbindSTU
3a4oRCSB PDB    PDBbindSTU
3hmoRCSB PDB    PDBbindSTU
4erwRCSB PDB    PDBbindSTU
4qmyRCSB PDB    PDBbindSTU
4yzcRCSB PDB    PDBbindSTU
5e8wRCSB PDB    PDBbindSTU
5kq5RCSB PDB    PDBbindSTU
5lohRCSB PDB    PDBbindSTU
Entry Information
PDB ID1sm2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametyrosine-protein kinase itk/tsk
Ligand NameSTU
EC.Number E.C.2.7.1.112
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki<10nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem.v279;pp.18727-18732
Ligand Properties
Formula C28H27N4O3
Molecular Weight 467.539
Exact Mass 467.208
No. of atoms 62
No. of bonds 69
Polar Surface Area 74.03
LOGP Value 3.24      (Computed with XLOGP3)
3.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 8
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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