Browse entries in the PDBbind-CN Database

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Related entries of code: 3pbb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2afwRCSB PDB    PDBbind329aa, >2AFW_1|Chains... *
2afxRCSB PDB    PDBbind329aa, >2AFX_1|Chains... at 100%
6gbxRCSB PDB    PDBbind329aa, >6GBX_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pb7RCSB PDB    PDBbindPBD
4f9uRCSB PDB    PDBbindPBD
4f9vRCSB PDB    PDBbindPBD
4faiRCSB PDB    PDBbindPBD
4fbeRCSB PDB    PDBbindPBD
4mhyRCSB PDB    PDBbindPBD
4mhzRCSB PDB    PDBbindPBD

Entry Information
PDB ID3pbb
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGlutaminyl-peptide cyclotransferase锛坰QC锛
Ligand NamePBD
EC.Number E.C.
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Ki=0.095uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 12439-12449
Ligand Properties
Formula C15H20N4O2S
Molecular Weight 320.410
Exact Mass 320.131
No. of atoms 42
No. of bonds 43
Polar Surface Area 99.47
LOGP Value 1.98      (Computed with XLOGP3)
2.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
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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