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Related entries of code: 3sgv
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%
3sgxRCSB PDB    PDBbind253aa, >3SGX_1|Chains... at 100%
3sh0RCSB PDB    PDBbind253aa, >3SH0_1|Chains... at 100%
3th8RCSB PDB    PDBbind253aa, >3TH8_1|Chains... at 100%
3wyjRCSB PDB    PDBbind253aa, >3WYJ_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 ID3sgv
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameUndecaprenyl pyrophosphate synthase
Ligand Name2BJ
EC.Number E.C.2.5.1.31
Resolution 1.61(Å)
Affinity (Kd/Ki/IC50)IC50=35uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 123-128
Ligand Properties
Formula C22H18N2O6
Molecular Weight 406.388
Exact Mass 406.116
No. of atoms 48
No. of bonds 50
Polar Surface Area 121.45
LOGP Value 5.45      (Computed with XLOGP3)
5.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): P60472  
Entrez Gene IDNCBI Entrez Gene ID: 944874  
ASDInformation of known allosteric effects of PDB entries
 
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