Browse entries in the PDBbind-CN Database

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Related entries of code: 2afw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2afxRCSB PDB    PDBbind329aa, >2AFX_1|Chains... at 100%
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
3pb8RCSB PDB    PDBbindAHN
Entry Information
PDB ID2afw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglutaminyl-peptide cyclotransferase
Ligand NameAHN
EC.Number E.C.2.3.2.5
Resolution 1.56(Å)
Affinity (Kd/Ki/IC50)Ki=17uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.Usa v102 pp. 13117-22, 2005
Ligand Properties
Formula C7H11N3O
Molecular Weight 153.182
Exact Mass 153.090
No. of atoms 22
No. of bonds 22
Polar Surface Area 57.78
LOGP Value -0.33      (Computed with XLOGP3)
0.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): Q16769  
Entrez Gene IDNCBI Entrez Gene ID: 25797  
ASDInformation of known allosteric effects of PDB entries
 
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