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Related entries of code: 4xsy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4kmuRCSB PDB    PDBbind91aa, >4KMU_4|Chains... *
4kn4RCSB PDB    PDBbind91aa, >4KN4_4|Chains... at 100%
4kn7RCSB PDB    PDBbind91aa, >4KN7_4|Chains... at 100%
4mexRCSB PDB    PDBbind91aa, >4MEX_4|Chains... at 100%
4xsxRCSB PDB    PDBbind91aa, >4XSX_4|Chains... at 100%
4xszRCSB PDB    PDBbind91aa, >4XSZ_4|Chains... at 100%
4zh2RCSB PDB    PDBbind91aa, >4ZH2_4|Chains... at 100%
4zh3RCSB PDB    PDBbind91aa, >4ZH3_4|Chains... at 100%
4zh4RCSB PDB    PDBbind91aa, >4ZH4_4|Chains... at 100%
5uacRCSB PDB    PDBbind91aa, >5UAC_4|Chains... at 100%
5uahRCSB PDB    PDBbind91aa, >5UAH_4|Chains... at 100%
5ualRCSB PDB    PDBbind91aa, >5UAL_4|Chains... at 100%
5w1tRCSB PDB    PDBbind91aa, >5W1T_4|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 ID4xsy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEscherichia coli RNA polymerase holoenzyme
Ligand Name42T
EC.Number E.C.2.7.7.6
Resolution 4.01(Å)
Affinity (Kd/Ki/IC50)Ki~5uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. E4178-E4187
Ligand Properties
Formula C21H15Cl2F3N4O2
Molecular Weight 483.271
Exact Mass 482.052
No. of atoms 47
No. of bonds 49
Polar Surface Area 85.75
LOGP Value 5.25      (Computed with XLOGP3)
7.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
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): P00579  P0A7Z4  P0A800  P0A8T7  P0A8V2  
Entrez Gene IDNCBI Entrez Gene ID: 947567  62021014  947794  62024775  948160  61756340  948487  61756339  948488  
ASDInformation of known allosteric effects of PDB entries
 
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