Browse entries in the PDBbind-CN Database

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Related entries of code: 4w4w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pmnRCSB PDB    PDBbind364aa, >1PMN_1|Chain... at 99%
1pmuRCSB PDB    PDBbind364aa, >1PMU_1|Chain... at 99%
1pmvRCSB PDB    PDBbind364aa, >1PMV_1|Chain... at 99%
2b1pRCSB PDB    PDBbind355aa, >2B1P_1|Chain... at 100%
2excRCSB PDB    PDBbind356aa, >2EXC_1|Chain... at 100%
2o0uRCSB PDB    PDBbind364aa, >2O0U_1|Chain... at 100%
2o2uRCSB PDB    PDBbind364aa, >2O2U_1|Chain... at 100%
2ok1RCSB PDB    PDBbind365aa, >2OK1_1|Chain... at 99%
2p33RCSB PDB    PDBbind365aa, >2P33_1|Chain... at 99%
2r9sRCSB PDB    PDBbind356aa, >2R9S_1|Chains... at 100%
2wajRCSB PDB    PDBbind364aa, >2WAJ_1|Chain... at 100%
2zdtRCSB PDB    PDBbind364aa, >2ZDT_1|Chain... at 100%
3cgfRCSB PDB    PDBbind365aa, >3CGF_1|Chain... at 99%
3cgoRCSB PDB    PDBbind365aa, >3CGO_1|Chain... at 99%
3da6RCSB PDB    PDBbind364aa, >3DA6_1|Chain... at 100%
3eljRCSB PDB    PDBbind369aa, >3ELJ_1|Chain... at 91%
3fi2RCSB PDB    PDBbind353aa, >3FI2_1|Chain... at 98%
3fi3RCSB PDB    PDBbind364aa, >3FI3_1|Chain... at 100%
3fv8RCSB PDB    PDBbind355aa, >3FV8_1|Chain... at 98%
3g90RCSB PDB    PDBbind365aa, >3G90_1|Chain... at 99%
3g9lRCSB PDB    PDBbind365aa, >3G9L_1|Chain... at 99%
3g9nRCSB PDB    PDBbind365aa, >3G9N_1|Chain... at 99%
3kvxRCSB PDB    PDBbind364aa, >3KVX_1|Chain... at 100%
3o2mRCSB PDB    PDBbind370aa, >3O2M_1|Chains... at 91%
3oxiRCSB PDB    PDBbind362aa, >3OXI_1|Chain... at 100%
3oy1RCSB PDB    PDBbind362aa, >3OY1_1|Chain... at 100%
3rtpRCSB PDB    PDBbind363aa, >3RTP_1|Chain... at 99%
3ttiRCSB PDB    PDBbind464aa, >3TTI_1|Chain... *
3ttjRCSB PDB    PDBbind464aa, >3TTJ_1|Chain... at 100%
3v6rRCSB PDB    PDBbind364aa, >3V6R_1|Chains... at 100%
3v6sRCSB PDB    PDBbind364aa, >3V6S_1|Chains... at 100%
4awiRCSB PDB    PDBbind369aa, >4AWI_1|Chain... at 91%
4h36RCSB PDB    PDBbind356aa, >4H36_1|Chain... at 100%
4h39RCSB PDB    PDBbind356aa, >4H39_1|Chain... at 100%
4h3bRCSB PDB    PDBbind356aa, >4H3B_1|Chains... at 100%
4l7fRCSB PDB    PDBbind367aa, >4L7F_1|Chain... at 91%
4qtdRCSB PDB    PDBbind364aa, >4QTD_1|Chain... at 92%
4u79RCSB PDB    PDBbind364aa, >4U79_1|Chain... at 100%
4w4vRCSB PDB    PDBbind366aa, >4W4V_1|Chain... at 99%
4w4xRCSB PDB    PDBbind366aa, >4W4X_1|Chain... at 99%
4w4yRCSB PDB    PDBbind366aa, >4W4Y_1|Chain... at 99%
4whzRCSB PDB    PDBbind385aa, >4WHZ_1|Chain... at 100%
4x21RCSB PDB    PDBbind367aa, >4X21_1|Chains... at 99%
4y46RCSB PDB    PDBbind366aa, >4Y46_1|Chain... at 99%
4y5hRCSB PDB    PDBbind366aa, >4Y5H_1|Chain... at 99%
4z9lRCSB PDB    PDBbind364aa, >4Z9L_1|Chain... at 99%
6ekdRCSB PDB    PDBbind367aa, >6EKD_1|Chain... at 99%
6emhRCSB PDB    PDBbind367aa, >6EMH_1|Chains... 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 ID4w4w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namec-Jun N-terminal kinase 3
Ligand Name3HJ
EC.Number E.C.2.7.11.24
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=34.7nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Sci Rep Vol. 5: pp. 8047-8047
Ligand Properties
Formula C23H20N6O2
Molecular Weight 412.444
Exact Mass 412.165
No. of atoms 51
No. of bonds 54
Polar Surface Area 100.94
LOGP Value 2.62      (Computed with XLOGP3)
4.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): P53779  
Entrez Gene IDNCBI Entrez Gene ID: 5602  
ASDInformation of known allosteric effects of PDB entries
 
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