Browse entries in the PDBbind-CN Database

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Related entries of code: 4fk7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4fxqRCSB PDB    PDBbind460aa, >4FXQ_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1xk9RCSB PDB    PDBbindP34
3ce0RCSB PDB    PDBbindP34
3uh2RCSB PDB    PDBbindP34
4bjbRCSB PDB    PDBbindP34
4tjwRCSB PDB    PDBbindP34
4uxbRCSB PDB    PDBbindP34
5ewkRCSB PDB    PDBbindP34
Entry Information
PDB ID4fk7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePutative ADP-ribosyltransferase Certhrax
Ligand NameP34
EC.Number E.C.2.4.2
Resolution 1.78(Å)
Affinity (Kd/Ki/IC50)Kd=5.8uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Biol.Chem. Vol. 287: pp. 41089-41102
Ligand Properties
Formula C13H10N2O
Molecular Weight 210.231
Exact Mass 210.079
No. of atoms 26
No. of bonds 28
Polar Surface Area 58.88
LOGP Value 1.78      (Computed with XLOGP3)
2.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
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): Q4MV79  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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