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Related entries of code: 4kc1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ioiRCSB PDB    PDBbind298aa, >3IOI_1|Chain... at 97%
3v0lRCSB PDB    PDBbind298aa, >3V0L_1|Chain... at 97%
3v0pRCSB PDB    PDBbind298aa, >3V0P_1|Chains... 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 ID4kc1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameblood group glycosyltransferase AAglyB
Ligand NameWS1
EC.Number E.C.2.4.1.37
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)IC50=1220uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Chemistry Vol. 19: pp. 15346-15357
Ligand Properties
Formula C16H18N4O7
Molecular Weight 378.337
Exact Mass 378.118
No. of atoms 45
No. of bonds 47
Polar Surface Area 166.77
LOGP Value -2.23      (Computed with XLOGP3)
-2.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 11
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): P16442  
Entrez Gene IDNCBI Entrez Gene ID: 28  
ASDInformation of known allosteric effects of PDB entries

 
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