Browse entries in the PDBbind-CN Database

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Related entries of code: 2afx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2afwRCSB PDB    PDBbind329aa, >2AFW_1|Chains... *
3pbbRCSB PDB    PDBbind329aa, >3PBB_1|Chains... at 100%
6gbxRCSB PDB    PDBbind329aa, >6GBX_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pb9RCSB PDB    PDBbind1BN
Entry Information
PDB ID2afx
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglutaminyl-peptide cyclotransferase
Ligand Name1BN
EC.Number E.C.2.3.2.5
Resolution 1.64(Å)
Affinity (Kd/Ki/IC50)Ki=7.1uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.Usa v102 pp. 13117-22, 2005
Ligand Properties
Formula C10H10N2
Molecular Weight 158.200
Exact Mass 158.084
No. of atoms 22
No. of bonds 23
Polar Surface Area 17.82
LOGP Value 1.61      (Computed with XLOGP3)
1.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
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): Q16769  
Entrez Gene IDNCBI Entrez Gene ID: 25797  
ASDInformation of known allosteric effects of PDB entries
 
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