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Related entries of code: 3i9g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4d9qRCSB PDB    PDBbind213aa, >4D9Q_2|Chains... at 100%
4d9rRCSB PDB    PDBbind214aa, >4D9R_2|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3i9g
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLT1009 (SONEPCIZUMAB) antibody Fab fragment
Ligand NameS1P
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=1.1nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Proc.Natl.Acad.Sci.USA Vol. 106: pp. 17717-17722
Ligand Properties
Formula C18H40NO5P
Molecular Weight 381.488
Exact Mass 381.264
No. of atoms 65
No. of bonds 64
Polar Surface Area 131.38
LOGP Value 1.75      (Computed with XLOGP3)
2.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 0
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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