Browse entries in the PDBbind-CN Database

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Related entries of code: 4buq
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%
4auyRCSB PDB    PDBbind158aa, >4AUY_1|Chains... 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%
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
4ca4RCSB PDB    PDBbindKGM
4lovRCSB PDB    PDBbindKGM
4xo8RCSB PDB    PDBbindKGM
4xocRCSB PDB    PDBbindKGM
4xoeRCSB PDB    PDBbindKGM
5fs5RCSB PDB    PDBbindKGM
Entry Information
PDB ID4buq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namewild type FimH lectin domain
Ligand NameKGM
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=7.3nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acs Med.Chem.Lett. Vol. 4: pp. 1085-1090
Ligand Properties
Formula C13H26O6
Molecular Weight 278.342
Exact Mass 278.173
No. of atoms 45
No. of bonds 45
Polar Surface Area 99.38
LOGP Value 0.82      (Computed with XLOGP3)
-0.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): A2IC68  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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