Browse entries in the PDBbind-CN Database

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Related entries of code: 4bcg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3blhRCSB PDB    PDBbind331aa, >3BLH_1|Chain... at 99%
3blrRCSB PDB    PDBbind331aa, >3BLR_1|Chain... at 99%
3lq5RCSB PDB    PDBbind331aa, >3LQ5_1|Chain... at 99%
3my1RCSB PDB    PDBbind331aa, >3MY1_1|Chain... at 99%
3tn8RCSB PDB    PDBbind331aa, >3TN8_1|Chain... at 99%
3tnhRCSB PDB    PDBbind331aa, >3TNH_1|Chain... at 99%
4bcfRCSB PDB    PDBbind331aa, >4BCF_1|Chain... at 99%
4bchRCSB PDB    PDBbind331aa, >4BCH_1|Chain... at 99%
4bciRCSB PDB    PDBbind331aa, >4BCI_1|Chain... at 99%
4bcjRCSB PDB    PDBbind331aa, >4BCJ_1|Chain... at 99%
6gzhRCSB PDB    PDBbind326aa, >6GZH_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4bcpRCSB PDB    PDBbindT3C

Entry Information
PDB ID4bcg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand NameT3C
EC.Number E.C.
Resolution 3.08(Å)
Affinity (Kd/Ki/IC50)Ki=7nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 640
Ligand Properties
Formula C21H25N8S
Molecular Weight 421.542
Exact Mass 421.192
No. of atoms 55
No. of bonds 58
Polar Surface Area 134.61
LOGP Value 3.07      (Computed with XLOGP3)
4.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
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): O60563  P50750  
Entrez Gene IDNCBI Entrez Gene ID: 904  1025  
ASDInformation of known allosteric effects of PDB entries

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