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Related entries of code: 5qae
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wmcRCSB PDB    PDBbind242aa, >4WMC:H|PDBID|CHAIN|... at 100%
5dtkRCSB PDB    PDBbind265aa, >5DTK:D|PDBID|CHAIN|... at 100%
5dtsRCSB PDB    PDBbind244aa, >5DTS:D|PDBID|CHAIN|... at 100%
5dttRCSB PDB    PDBbind244aa, >5DTT:D|PDBID|CHAIN|... at 100%
5dvaRCSB PDB    PDBbind244aa, >5DVA:D|PDBID|CHAIN|... at 100%
5faqRCSB PDB    PDBbind241aa, >5FAQ:B|PDBID|CHAIN|... at 100%
5fasRCSB PDB    PDBbind242aa, >5FAS:B|PDBID|CHAIN|... at 100%
5fatRCSB PDB    PDBbind243aa, >5FAT:B|PDBID|CHAIN|... at 100%
5qa4RCSB PDB    PDBbind243aa, >5QA4:D|PDBID|CHAIN|... at 100%
5qa5RCSB PDB    PDBbind243aa, >5QA5:D|PDBID|CHAIN|... at 100%
5qa6RCSB PDB    PDBbind243aa, >5QA6:D|PDBID|CHAIN|... at 100%
5qa7RCSB PDB    PDBbind243aa, >5QA7:D|PDBID|CHAIN|... at 100%
5qa8RCSB PDB    PDBbind243aa, >5QA8:D|PDBID|CHAIN|... at 100%
5qa9RCSB PDB    PDBbind243aa, >5QA9:D|PDBID|CHAIN|... at 100%
5qaaRCSB PDB    PDBbind243aa, >5QAA:D|PDBID|CHAIN|... at 100%
5qabRCSB PDB    PDBbind243aa, >5QAB:D|PDBID|CHAIN|... at 100%
5qacRCSB PDB    PDBbind243aa, >5QAC:D|PDBID|CHAIN|... at 100%
5qadRCSB PDB    PDBbind243aa, >5QAD:D|PDBID|CHAIN|... at 100%
5qafRCSB PDB    PDBbind243aa, >5QAF:D|PDBID|CHAIN|... at 100%
5qagRCSB PDB    PDBbind243aa, >5QAG:D|PDBID|CHAIN|... at 100%
5qahRCSB PDB    PDBbind243aa, >5QAH:D|PDBID|CHAIN|... at 100%
5qaiRCSB PDB    PDBbind243aa, >5QAI:D|PDBID|CHAIN|... at 100%
5qajRCSB PDB    PDBbind243aa, >5QAJ:D|PDBID|CHAIN|... at 100%
5qakRCSB PDB    PDBbind243aa, >5QAK:D|PDBID|CHAIN|... at 100%
5qalRCSB PDB    PDBbind243aa, >5QAL:D|PDBID|CHAIN|... at 100%
5qamRCSB PDB    PDBbind243aa, >5QAM:D|PDBID|CHAIN|... at 100%
5qanRCSB PDB    PDBbind243aa, >5QAN:D|PDBID|CHAIN|... at 100%
5qaoRCSB PDB    PDBbind243aa, >5QAO:D|PDBID|CHAIN|... at 100%
5qapRCSB PDB    PDBbind243aa, >5QAP:D|PDBID|CHAIN|... at 100%
5qaqRCSB PDB    PDBbind243aa, >5QAQ:D|PDBID|CHAIN|... at 100%
5qarRCSB PDB    PDBbind243aa, >5QAR:D|PDBID|CHAIN|... at 100%
5qasRCSB PDB    PDBbind243aa, >5QAS:D|PDBID|CHAIN|... at 100%
5qatRCSB PDB    PDBbind243aa, >5QAT:D|PDBID|CHAIN|... at 100%
5qauRCSB PDB    PDBbind243aa, >5QAU:D|PDBID|CHAIN|... at 100%
5qavRCSB PDB    PDBbind243aa, >5QAV:D|PDBID|CHAIN|... at 100%
5qawRCSB PDB    PDBbind243aa, >5QAW:D|PDBID|CHAIN|... at 100%
5qaxRCSB PDB    PDBbind243aa, >5QAX:D|PDBID|CHAIN|... at 100%
5qayRCSB PDB    PDBbind243aa, >5QAY:D|PDBID|CHAIN|... at 100%
5qazRCSB PDB    PDBbind243aa, >5QAZ:D|PDBID|CHAIN|... at 100%
5qb0RCSB PDB    PDBbind243aa, >5QB0:D|PDBID|CHAIN|... at 100%
5qb1RCSB PDB    PDBbind243aa, >5QB1:D|PDBID|CHAIN|... at 100%
5qb2RCSB PDB    PDBbind243aa, >5QB2:D|PDBID|CHAIN|... at 100%
5qb3RCSB PDB    PDBbind243aa, >5QB3:D|PDBID|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 ID5qae
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameoxacillinase-48
Ligand NameQ4G
EC.Number E.C.3.5.2.6
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=240uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Eur J Med Chem Vol. 145: pp. 634-648
Ligand Properties
Formula C13H9FO2
Molecular Weight 216.208
Exact Mass 216.059
No. of atoms 25
No. of bonds 26
Polar Surface Area 37.3
LOGP Value 4.06      (Computed with XLOGP3)
3.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
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): Q6XEC0  
Entrez Gene IDNCBI Entrez Gene ID: 13913776  15334346  15842648  15842812  17860775  39638493  
ASDInformation of known allosteric effects of PDB entries

 
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