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Related entries of code: 3i97
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ijrRCSB PDB    PDBbind156aa, >5IJR:B|PDBID|CHAIN|... at 100%
5iyyRCSB PDB    PDBbind158aa, >5IYY:B|PDBID|CHAIN|... at 100%
5j1xRCSB PDB    PDBbind158aa, >5J1X:D|PDBID|CHAIN|... at 100%
5jgiRCSB PDB    PDBbind156aa, >5JGI:B|PDBID|CHAIN|... at 100%
5jgqRCSB PDB    PDBbind158aa, >5JGQ:B|PDBID|CHAIN|... at 100%
5jhkRCSB PDB    PDBbind158aa, >5JHK:B|PDBID|CHAIN|... at 100%
6fmcRCSB PDB    PDBbind158aa, >6FMC:A|PDBID|CHAIN|... at 100%
6fmfRCSB PDB    PDBbind158aa, >6FMF:A|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3i97
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameB1 domain of human Neuropilin-1
Ligand Name8DR
EC.Number E.C.-.-.-.-
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=3uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2010) J.Med.Chem. Vol. 53: pp. 2215-2226
Ligand Properties
Formula C17H20N7O5S3
Molecular Weight 498.580
Exact Mass 498.069
No. of atoms 52
No. of bonds 54
Polar Surface Area 269.22
LOGP Value 4.85      (Computed with XLOGP3)
1.82      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
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): O14786  
Entrez Gene IDNCBI Entrez Gene ID: 8829  
ASDInformation of known allosteric effects of PDB entries

 
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