Browse entries in the PDBbind-CN Database

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Related entries of code: 3btj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1qvtRCSB PDB    PDBbind194aa, >1QVT_1|Chains... at 99%
1qvuRCSB PDB    PDBbind194aa, >1QVU_1|Chains... at 99%
3bt9RCSB PDB    PDBbind188aa, >3BT9_1|Chains... at 99%
3btcRCSB PDB    PDBbind188aa, >3BTC_1|Chains... at 99%
3btiRCSB PDB    PDBbind188aa, >3BTI_1|Chains... at 99%
3btlRCSB PDB    PDBbind188aa, >3BTL_1|Chains... at 99%
3pm1RCSB PDB    PDBbind194aa, >3PM1_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3arpRCSB PDB    PDBbindDEQ
3artRCSB PDB    PDBbindDEQ
3bt9RCSB PDB    PDBbindDEQ
3vw0RCSB PDB    PDBbindDEQ
Entry Information
PDB ID3btj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameQacR(E58Q)
Ligand NameDEQ
EC.Number E.C.-.-.-.-
Resolution 2.98(Å)
Affinity (Kd/Ki/IC50)Kd=2.4uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Biochemistry Vol. 47: pp. 8122-8129
Ligand Properties
Formula C30H43N4
Molecular Weight 459.689
Exact Mass 459.349
No. of atoms 77
No. of bonds 80
Polar Surface Area 60.14
LOGP Value 6.69      (Computed with XLOGP3)
6.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
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): P0A0N3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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