Browse entries in the PDBbind-CN Database

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Related entries of code: 3s0n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1t31RCSB PDB    PDBbind226aa, >1T31_1|Chain... *
2hvxRCSB PDB    PDBbind226aa, >2HVX_1|Chain... at 100%
3n7oRCSB PDB    PDBbind226aa, >3N7O_1|Chain... at 99%
4k2yRCSB PDB    PDBbind226aa, >4K2Y_1|Chain... at 100%
4k5zRCSB PDB    PDBbind226aa, >4K5Z_1|Chain... at 100%
4k60RCSB PDB    PDBbind226aa, >4K60_1|Chain... at 100%
4k69RCSB PDB    PDBbind226aa, >4K69_1|Chain... at 100%
4kp0RCSB PDB    PDBbind226aa, >4KP0_1|Chain... at 98%
5yjmRCSB PDB    PDBbind226aa, >5YJM_1|Chain... at 98%
5yjpRCSB PDB    PDBbind226aa, >5YJP_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3s0n
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameChymase
Ligand Name0BB
EC.Number E.C.3.4.21.39
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=180nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg.Med.Chem.Lett. Vol. 21: pp. 4533-4539
Ligand Properties
Formula C21H20N2O3S
Molecular Weight 380.460
Exact Mass 380.119
No. of atoms 47
No. of bonds 50
Polar Surface Area 92.47
LOGP Value 5.10      (Computed with XLOGP3)
4.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): P23946  
Entrez Gene IDNCBI Entrez Gene ID: 1215  
ASDInformation of known allosteric effects of PDB entries
 
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