Browse entries in the PDBbind-CN Database

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Related entries of code: 4x50
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%
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%
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
5fwrRCSB PDB    PDBbind3X8
Entry Information
PDB ID4x50
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameProtein FimH
Ligand Name3X8
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=17.7nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chembiochem Vol. 16: pp. 1235-1246
Ligand Properties
Formula C18H20O6
Molecular Weight 332.348
Exact Mass 332.126
No. of atoms 44
No. of bonds 46
Polar Surface Area 99.38
LOGP Value 1.39      (Computed with XLOGP3)
0.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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): P08191  
Entrez Gene IDNCBI Entrez Gene ID: 948847  
ASDInformation of known allosteric effects of PDB entries
 
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