Browse entries in the PDBbind-CN Database

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Related entries of code: 4fgz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3uj9RCSB PDB    PDBbind266aa, >3UJ9_1|Chain... *
3ujbRCSB PDB    PDBbind266aa, >3UJB_1|Chains... at 100%
3ujcRCSB PDB    PDBbind266aa, >3UJC_1|Chain... at 99%
3ujdRCSB PDB    PDBbind266aa, >3UJD_1|Chain... at 99%
4r6wRCSB PDB    PDBbind258aa, >4R6W_1|Chains... at 99%
4r6xRCSB PDB    PDBbind258aa, >4R6X_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2aouRCSB PDB    PDBbindCQA

Entry Information
PDB ID4fgz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhosphoethanolamine N-methyltransferase
Ligand NameCQA
EC.Number E.C.
Resolution 1.99(Å)
Affinity (Kd/Ki/IC50)IC50=1350uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 4990-4993
Ligand Properties
Formula C20H23ClN3O
Molecular Weight 356.869
Exact Mass 356.153
No. of atoms 48
No. of bonds 50
Polar Surface Area 49.59
LOGP Value 5.12      (Computed with XLOGP3)
3.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 4
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): Q6T755  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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