Browse entries in the PDBbind-CN Database

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Related entries of code: 5qai
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wmcRCSB PDB    PDBbind242aa, >4WMC_2|Chains... at 100%
5dtkRCSB PDB    PDBbind265aa, >5DTK_1|Chains... *
5dtsRCSB PDB    PDBbind244aa, >5DTS_1|Chains... at 100%
5dttRCSB PDB    PDBbind244aa, >5DTT_1|Chains... at 100%
5dvaRCSB PDB    PDBbind244aa, >5DVA_1|Chains... at 100%
5faqRCSB PDB    PDBbind241aa, >5FAQ_1|Chains... at 100%
5fasRCSB PDB    PDBbind242aa, >5FAS_1|Chains... at 100%
5fatRCSB PDB    PDBbind243aa, >5FAT_1|Chains... at 100%
5qa4RCSB PDB    PDBbind243aa, >5QA4_1|Chains... at 100%
5qa5RCSB PDB    PDBbind243aa, >5QA5_1|Chains... at 100%
5qa6RCSB PDB    PDBbind243aa, >5QA6_1|Chains... at 100%
5qa7RCSB PDB    PDBbind243aa, >5QA7_1|Chains... at 100%
5qa8RCSB PDB    PDBbind243aa, >5QA8_1|Chains... at 100%
5qa9RCSB PDB    PDBbind243aa, >5QA9_1|Chains... at 100%
5qaaRCSB PDB    PDBbind243aa, >5QAA_1|Chains... at 100%
5qabRCSB PDB    PDBbind243aa, >5QAB_1|Chains... at 100%
5qacRCSB PDB    PDBbind243aa, >5QAC_1|Chains... at 100%
5qadRCSB PDB    PDBbind243aa, >5QAD_1|Chains... at 100%
5qaeRCSB PDB    PDBbind243aa, >5QAE_1|Chains... at 100%
5qafRCSB PDB    PDBbind243aa, >5QAF_1|Chains... at 100%
5qagRCSB PDB    PDBbind243aa, >5QAG_1|Chains... at 100%
5qahRCSB PDB    PDBbind243aa, >5QAH_1|Chains... at 100%
5qajRCSB PDB    PDBbind243aa, >5QAJ_1|Chains... at 100%
5qakRCSB PDB    PDBbind243aa, >5QAK_1|Chains... at 100%
5qalRCSB PDB    PDBbind243aa, >5QAL_1|Chains... at 100%
5qamRCSB PDB    PDBbind243aa, >5QAM_1|Chains... at 100%
5qanRCSB PDB    PDBbind243aa, >5QAN_1|Chains... at 100%
5qaoRCSB PDB    PDBbind243aa, >5QAO_1|Chains... at 100%
5qapRCSB PDB    PDBbind243aa, >5QAP_1|Chains... at 100%
5qaqRCSB PDB    PDBbind243aa, >5QAQ_1|Chains... at 100%
5qarRCSB PDB    PDBbind243aa, >5QAR_1|Chains... at 100%
5qasRCSB PDB    PDBbind243aa, >5QAS_1|Chains... at 100%
5qatRCSB PDB    PDBbind243aa, >5QAT_1|Chains... at 100%
5qauRCSB PDB    PDBbind243aa, >5QAU_1|Chains... at 100%
5qavRCSB PDB    PDBbind243aa, >5QAV_1|Chains... at 100%
5qawRCSB PDB    PDBbind243aa, >5QAW_1|Chains... at 100%
5qaxRCSB PDB    PDBbind243aa, >5QAX_1|Chains... at 100%
5qayRCSB PDB    PDBbind243aa, >5QAY_1|Chains... at 100%
5qazRCSB PDB    PDBbind243aa, >5QAZ_1|Chains... at 100%
5qb0RCSB PDB    PDBbind243aa, >5QB0_1|Chains... at 100%
5qb1RCSB PDB    PDBbind243aa, >5QB1_1|Chains... at 100%
5qb2RCSB PDB    PDBbind243aa, >5QB2_1|Chains... at 100%
5qb3RCSB PDB    PDBbind243aa, >5QB3_1|Chains... at 100%
6q5bRCSB PDB    PDBbind265aa, >6Q5B_2|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 ID5qai
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameoxacillinase-48
Ligand NameVM7
EC.Number E.C.3.5.2.6
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=150uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Eur J Med Chem Vol. 145: pp. 634-648
Ligand Properties
Formula C14H12O4S
Molecular Weight 276.308
Exact Mass 276.046
No. of atoms 31
No. of bonds 32
Polar Surface Area 79.82
LOGP Value 3.40      (Computed with XLOGP3)
3.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
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 IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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