Browse entries in the PDBbind-CN Database

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Related entries of code: 1btn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1h0aRCSB PDB    PDBbindI3P
1maiRCSB PDB    PDBbindI3P
1n4kRCSB PDB    PDBbindI3P
2p0dRCSB PDB    PDBbindI3P
3t8sRCSB PDB    PDBbindI3P
4np9RCSB PDB    PDBbindI3P
5hjqRCSB PDB    PDBbindI3P
6cv8RCSB PDB    PDBbindI3P

Entry Information
PDB ID1btn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-spectrin
Ligand NameI3P
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=40uM
Release Year1996
Protein/NA SequenceCheck fasta file
Primary Reference EMBO J. v14 pp. 4676-85, 1995
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): Q62261  
Entrez Gene IDNCBI Entrez Gene ID: 20742  
ASDInformation of known allosteric effects of PDB entries

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