Browse entries in the PDBbind-CN Database

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Related entries of code: 3t8s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1n4kRCSB PDB    PDBbind381aa, >1N4K_1|Chain... at 100%
6mu1RCSB PDB    PDBbind2739aa, >6MU1_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1btnRCSB PDB    PDBbindI3P
1h0aRCSB PDB    PDBbindI3P
1maiRCSB PDB    PDBbindI3P
1n4kRCSB PDB    PDBbindI3P
2p0dRCSB PDB    PDBbindI3P
4np9RCSB PDB    PDBbindI3P
5hjqRCSB PDB    PDBbindI3P
6cv8RCSB PDB    PDBbindI3P
Entry Information
PDB ID3t8s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLigand-Binding Domain of rat InsP3 Receptor
Ligand NameI3P
EC.Number E.C.-.-.-.-
Resolution 3.77(Å)
Affinity (Kd/Ki/IC50)Kd=2.82nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Nat. Chem. Biol., Vol.5, pp.631-639
Ligand Properties
Formula C6H18O15P3
Molecular Weight 423.119
Exact Mass 422.986
No. of atoms 42
No. of bonds 42
Polar Surface Area 311.22
LOGP Value -7.48      (Computed with XLOGP3)
-4.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 1
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): P29994  
Entrez Gene IDNCBI Entrez Gene ID: 25262  
ASDInformation of known allosteric effects of PDB entries
 
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