Browse entries in the PDBbind-CN Database

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Related entries of code: 3ioi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3v0lRCSB PDB    PDBbind298aa, >3V0L_1|Chain... at 97%
3v0pRCSB PDB    PDBbind298aa, >3V0P_1|Chains... at 97%
4kc1RCSB PDB    PDBbind290aa, >4KC1_1|Chain... at 97%
4kc2RCSB PDB    PDBbind290aa, >4KC2_1|Chain... at 97%
4kc4RCSB PDB    PDBbind290aa, >4KC4_1|Chain... at 97%
4y62RCSB PDB    PDBbind354aa, >4Y62_1|Chain... *
4y63RCSB PDB    PDBbind354aa, >4Y63_1|Chain... at 100%
4y64RCSB PDB    PDBbind354aa, >4Y64_1|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 ID3ioi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A)
Ligand Name1GW
EC.Number E.C.2.4.1.40
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)Ki=0.53uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Nat.Chem.Biol. Vol. 6: pp. 321-323
Ligand Properties
Formula C20H34N2O18P2S
Molecular Weight 684.499
Exact Mass 684.100
No. of atoms 77
No. of bonds 80
Polar Surface Area 376.02
LOGP Value -6.44      (Computed with XLOGP3)
-4.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 4
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): P16442  
Entrez Gene IDNCBI Entrez Gene ID: 28  
ASDInformation of known allosteric effects of PDB entries

 
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