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Related entries of code: 3wyj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1x07RCSB PDB    PDBbind253aa, >1X07_1|Chain... *
2e98RCSB PDB    PDBbind253aa, >2E98_1|Chains... at 100%
2e99RCSB PDB    PDBbind253aa, >2E99_1|Chains... at 100%
2e9aRCSB PDB    PDBbind253aa, >2E9A_1|Chains... at 100%
2e9cRCSB PDB    PDBbind253aa, >2E9C_1|Chains... at 100%
2e9dRCSB PDB    PDBbind253aa, >2E9D_1|Chains... at 100%
3sgtRCSB PDB    PDBbind253aa, >3SGT_1|Chains... at 100%
3sgvRCSB PDB    PDBbind253aa, >3SGV_1|Chains... at 100%
3sgxRCSB PDB    PDBbind253aa, >3SGX_1|Chains... at 100%
3sh0RCSB PDB    PDBbind253aa, >3SH0_1|Chains... at 100%
3th8RCSB PDB    PDBbind253aa, >3TH8_1|Chains... at 100%
4h2jRCSB PDB    PDBbind253aa, >4H2J_1|Chains... at 100%
4h2mRCSB PDB    PDBbind253aa, >4H2M_1|Chains... at 100%
4h2oRCSB PDB    PDBbind253aa, >4H2O_1|Chains... at 100%
4h38RCSB PDB    PDBbind253aa, >4H38_1|Chains... at 100%
4h3aRCSB PDB    PDBbind253aa, >4H3A_1|Chains... at 100%
4h3cRCSB PDB    PDBbind253aa, >4H3C_1|Chains... at 100%
5cqjRCSB PDB    PDBbind253aa, >5CQJ_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 ID3wyj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE. coli undecaprenyl diphosphate synthase
Ligand NameH78
EC.Number E.C.2.5.1.31
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=0.36uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem.vol(58),1215-1227
Ligand Properties
Formula C34H40N2O18P4S2
Molecular Weight 952.709
Exact Mass 952.067
No. of atoms 100
No. of bonds 104
Polar Surface Area 446.68
LOGP Value -2.42      (Computed with XLOGP3)
4.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 5
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): P60472  
Entrez Gene IDNCBI Entrez Gene ID: 944874  
ASDInformation of known allosteric effects of PDB entries

 
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