Browse entries in the PDBbind-CN Database

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Related entries of code: 5u3b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vesRCSB PDB    PDBbind299aa, >2VES_1|Chains... at 99%
3u1yRCSB PDB    PDBbind299aa, >3U1Y_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%
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 ID5u3b
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDeacetylase LpxC
Ligand Name7TD
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=1.5nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 5002-5014
Ligand Properties
Formula C16H22N3O4
Molecular Weight 320.364
Exact Mass 320.161
No. of atoms 45
No. of bonds 45
Polar Surface Area 115.3
LOGP Value 0.36      (Computed with XLOGP3)
0.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
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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