Browse entries in the PDBbind-CN Database

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Related entries of code: 6aro
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5lneRCSB PDB    PDBbind164aa, >5LNE_1|Chains... at 100%
6as8RCSB PDB    PDBbind166aa, >6AS8_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 ID6aro
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameF9 pilus adhesin FmlH
Ligand NameBS7
EC.Number E.C.-.-.-.-
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Kd=7.1uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Proc.Natl.Acad.Sci.USA Vol. 115: pp. E2819-E2828
Ligand Properties
Formula C15H17NO6
Molecular Weight 307.299
Exact Mass 307.106
No. of atoms 39
No. of bonds 41
Polar Surface Area 112.27
LOGP Value 0.03      (Computed with XLOGP3)
-0.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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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