Browse entries in the PDBbind-CN Database

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Related entries of code: 4pin
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4pioRCSB PDB    PDBbind323aa, >4PIO_1|Chains... at 100%
6fnqRCSB PDB    PDBbind323aa, >6FNQ_1|Chains... at 100%
6fnrRCSB PDB    PDBbind323aa, >6FNR_1|Chains... at 100%
6fnsRCSB PDB    PDBbind323aa, >6FNS_1|Chains... at 100%
6fntRCSB PDB    PDBbind323aa, >6FNT_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pioRCSB PDB    PDBbindAVI

Entry Information
PDB ID4pin
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHistidine-specific methyltransferase EgtD
Ligand NameAVI
EC.Number E.C.2.1.1.44
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=4uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chembiochem Vol. 16: pp. 119-125
Ligand Properties
Formula C8H14N3O2
Molecular Weight 184.216
Exact Mass 184.109
No. of atoms 27
No. of bonds 27
Polar Surface Area 70.42
LOGP Value -1.37      (Computed with XLOGP3)
-1.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): A0R5M8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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