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Related entries of code: 4x8g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3b1tRCSB PDB    PDBbind671aa, >3B1T_1|Chain... *
3b1uRCSB PDB    PDBbind671aa, >3B1U_1|Chain... at 100%
4dktRCSB PDB    PDBbind668aa, >4DKT_1|Chain... 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 ID4x8g
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman peptidylarginine deiminase type4 (PAD4)
Ligand Name3Z0
EC.Number E.C.3.5.3.15
Resolution 3.29(Å)
Affinity (Kd/Ki/IC50)IC50=1uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Nat.Chem.Biol. Vol. 11: pp. 189-191
Ligand Properties
Formula C24H29N6O2
Molecular Weight 433.526
Exact Mass 433.235
No. of atoms 61
No. of bonds 65
Polar Surface Area 92.82
LOGP Value 1.82      (Computed with XLOGP3)
2.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): Q9UM07  
Entrez Gene IDNCBI Entrez Gene ID: 23569  
ASDInformation of known allosteric effects of PDB entries
 
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