Browse entries in the PDBbind-CN Database

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Related entries of code: 6as8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5lneRCSB PDB    PDBbind164aa, >5LNE_1|Chains... at 100%
6aroRCSB PDB    PDBbind166aa, >6ARO_1|Chains... at 100%
6arnRCSB PDB    PDBbind166aa, >6ARN_1|Chains... at 100%
6aoyRCSB PDB    PDBbind166aa, >6AOY_1|Chains... at 100%
6aoxRCSB PDB    PDBbind166aa, >6AOX_1|Chains... *
6armRCSB PDB    PDBbind166aa, >6ARM_1|Chains... 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 ID6as8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameFml fimbrial adhesin FmlD
Ligand NameBTG
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=0.089uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Proc.Natl.Acad.Sci.USA Vol. 115: pp. E2819-E2828
Ligand Properties
Formula C21H23NO8
Molecular Weight 417.409
Exact Mass 417.142
No. of atoms 53
No. of bonds 55
Polar Surface Area 145.55
LOGP Value 2.00      (Computed with XLOGP3)
0.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): Q1RBS0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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