Browse entries in the PDBbind-CN Database

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Related entries of code: 6un3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4kqoRCSB PDB    PDBbind564aa, >4KQO_1|Chains... *
4kqqRCSB PDB    PDBbind564aa, >4KQQ_1|Chains... at 100%
4kqrRCSB PDB    PDBbind564aa, >4KQR_1|Chains... at 100%
4l0lRCSB PDB    PDBbind537aa, >4L0L_1|Chain... at 98%
4oolRCSB PDB    PDBbind538aa, >4OOL_1|Chain... at 98%
6un1RCSB PDB    PDBbind533aa, >6UN1_1|Chain... 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 ID6un3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePseudomonas aeruginosa PBP3
Ligand NameXT8
EC.Number E.C.3.4.16.4
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=2.3nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Antimicrob.Agents Chemother. Vol. 64: pp. e01473-19
Ligand Properties
Formula C15H16N2O6S2
Molecular Weight 384.427
Exact Mass 384.045
No. of atoms 41
No. of bonds 43
Polar Surface Area 177.55
LOGP Value 3.10      (Computed with XLOGP3)
0.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
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): G3XD46  
Entrez Gene IDNCBI Entrez Gene ID: 881247  
ASDInformation of known allosteric effects of PDB entries

 
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