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Related entries of code: 1n4k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3t8sRCSB PDB    PDBbind585aa, >3T8S:B|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1btnRCSB PDB    PDBbindI3P
1h0aRCSB PDB    PDBbindI3P
1maiRCSB PDB    PDBbindI3P
2p0dRCSB PDB    PDBbindI3P
3t8sRCSB PDB    PDBbindI3P
4np9RCSB PDB    PDBbindI3P
5hjqRCSB PDB    PDBbindI3P

Entry Information
PDB ID1n4k
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameinositol 1,4,5-trisphosphate receptor type 1
Ligand NameI3P
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=0.09nM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary ReferenceNature v420 pp. 696-700, 2002
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 likenessNo. 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): P11881  
Entrez Gene IDNCBI Entrez Gene ID: 16438  
ASDInformation of known allosteric effects of PDB entries

 
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