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Related entries of code: 3iss
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ybgRCSB PDB    PDBbind419aa, >1YBG_1|Chains... *
3kqaRCSB PDB    PDBbind419aa, >3KQA_1|Chains... at 100%
3upkRCSB PDB    PDBbind419aa, >3UPK_1|Chain... at 100%
3v4tRCSB PDB    PDBbind419aa, >3V4T_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3iss
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameUDP-N-acetylglucosamine 1-carboxyvinyltransferase
Ligand NameEPU
EC.Number E.C.2.5.1.7
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=0.9uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry Vol. 48: pp. 11715-11723
Ligand Properties
Formula C20H33N3O19P2
Molecular Weight 681.432
Exact Mass 681.118
No. of atoms 77
No. of bonds 79
Polar Surface Area 365.66
LOGP Value -5.39      (Computed with XLOGP3)
-4.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 22
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): P0A749  
Entrez Gene IDNCBI Entrez Gene ID: 61751975  947703  
ASDInformation of known allosteric effects of PDB entries

 
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