Browse entries in the PDBbind-CN Database

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Related entries of code: 6aqq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3v7cRCSB PDB    PDBbind329aa, >3V7C_1|Chain... at 99%
3v7sRCSB PDB    PDBbind329aa, >3V7S_1|Chain... at 99%
4dq2RCSB PDB    PDBbind328aa, >4DQ2_1|Chain... at 99%
6apwRCSB PDB    PDBbind329aa, >6APW_1|Chain... at 99%
6ndlRCSB PDB    PDBbind330aa, >6NDL_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6apwRCSB PDB    PDBbindBTV

Entry Information
PDB ID6aqq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebiotin protein ligase
Ligand NameBTV
EC.Number E.C.-.-.-.-
Resolution 2.71(Å)
Affinity (Kd/Ki/IC50)Ki=0.28uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Infect Dis Vol. 4: pp. 175-184
Ligand Properties
Formula C19H24FN5OS
Molecular Weight 389.490
Exact Mass 389.169
No. of atoms 51
No. of bonds 54
Polar Surface Area 97.14
LOGP Value 2.83      (Computed with XLOGP3)
3.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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