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Related entries of code: 3u1y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vesRCSB PDB    PDBbind299aa, >2VES_1|Chains... at 99%
3uhmRCSB PDB    PDBbind299aa, >3UHM_1|Chain... at 99%
4j3dRCSB PDB    PDBbind297aa, >4J3D_1|Chains... at 99%
4lchRCSB PDB    PDBbind299aa, >4LCH_1|Chain... at 99%
4okgRCSB PDB    PDBbind299aa, >4OKG_1|Chains... at 99%
5drqRCSB PDB    PDBbind299aa, >5DRQ_1|Chain... at 99%
5drrRCSB PDB    PDBbind299aa, >5DRR_1|Chain... at 99%
5u3bRCSB PDB    PDBbind299aa, >5U3B_1|Chains... at 99%
6mooRCSB PDB    PDBbind305aa, >6MOO_1|Chain... *
6modRCSB PDB    PDBbind304aa, >6MOD_1|Chain... at 98%
6mo5RCSB PDB    PDBbind304aa, >6MO5_1|Chain... at 98%
6mo4RCSB PDB    PDBbind303aa, >6MO4_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3u1y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameUDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC)
Ligand Name03I
EC.Number E.C.3.5.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50<2.13nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 914-923
Ligand Properties
Formula C25H35N2O6S
Molecular Weight 491.620
Exact Mass 491.222
No. of atoms 69
No. of bonds 71
Polar Surface Area 114.75
LOGP Value 2.61      (Computed with XLOGP3)
4.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 8
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): P47205  
Entrez Gene IDNCBI Entrez Gene ID: 881292  
ASDInformation of known allosteric effects of PDB entries
 
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