Browse entries in the PDBbind-CN Database

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Related entries of code: 4auy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1tr7RCSB PDB    PDBbind164aa, >1TR7_1|Chains... at 96%
1uwfRCSB PDB    PDBbind158aa, >1UWF_1|Chain... at 100%
4attRCSB PDB    PDBbind158aa, >4ATT_1|Chain... at 100%
4aujRCSB PDB    PDBbind158aa, >4AUJ_1|Chain... at 100%
4av0RCSB PDB    PDBbind158aa, >4AV0_1|Chains... at 100%
4av4RCSB PDB    PDBbind158aa, >4AV4_1|Chain... at 99%
4av5RCSB PDB    PDBbind158aa, >4AV5_1|Chains... at 100%
4avhRCSB PDB    PDBbind158aa, >4AVH_1|Chains... at 100%
4aviRCSB PDB    PDBbind158aa, >4AVI_1|Chains... at 100%
4avjRCSB PDB    PDBbind158aa, >4AVJ_1|Chains... at 100%
4buqRCSB PDB    PDBbind158aa, >4BUQ_1|Chains... at 100%
4ca4RCSB PDB    PDBbind158aa, >4CA4_1|Chains... at 99%
4cssRCSB PDB    PDBbind163aa, >4CSS_1|Chain... at 97%
4cstRCSB PDB    PDBbind163aa, >4CST_1|Chain... at 97%
4lovRCSB PDB    PDBbind158aa, >4LOV_1|Chain... at 100%
4x50RCSB PDB    PDBbind160aa, >4X50_1|Chains... at 99%
4x5pRCSB PDB    PDBbind160aa, >4X5P_1|Chain... at 99%
4x5qRCSB PDB    PDBbind160aa, >4X5Q_1|Chain... at 99%
4x5rRCSB PDB    PDBbind160aa, >4X5R_1|Chains... at 99%
4xo8RCSB PDB    PDBbind158aa, >4XO8_1|Chains... at 100%
4xocRCSB PDB    PDBbind159aa, >4XOC_1|Chains... at 98%
5f2fRCSB PDB    PDBbind158aa, >5F2F_1|Chain... at 100%
5fs5RCSB PDB    PDBbind158aa, >5FS5_1|Chain... at 99%
5fwrRCSB PDB    PDBbind158aa, >5FWR_1|Chains... at 100%
5mtsRCSB PDB    PDBbind300aa, >5MTS_1|Chains... *
5mucRCSB PDB    PDBbind158aa, >5MUC_1|Chains... at 100%
6g2sRCSB PDB    PDBbind158aa, >6G2S_1|Chains... at 100%
6g2rRCSB PDB    PDBbind158aa, >6G2R_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4aujRCSB PDB    PDBbindHNW

Entry Information
PDB ID4auy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFimH lectin domain
Ligand NameHNW
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=18.3nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 4790-4799
Ligand Properties
Formula C15H18O7
Molecular Weight 310.299
Exact Mass 310.105
No. of atoms 40
No. of bonds 41
Polar Surface Area 119.61
LOGP Value -0.73      (Computed with XLOGP3)
-1.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
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): P08191  
Entrez Gene IDNCBI Entrez Gene ID: 948847  
ASDInformation of known allosteric effects of PDB entries

 
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