Browse entries in the PDBbind-CN Database

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Related entries of code: 1cgl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
966cRCSB PDB    PDBbind157aa, >966C_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1cgl
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameadenosine deaminase
Ligand Name0ED
EC.Number E.C.3.5.4.4
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=0.135uM
Release Year1995
Protein/NA SequenceCheck fasta file
Primary Reference Science v263 pp. 375-7, 1994
Ligand Properties
Formula C33H49N5O7
Molecular Weight 627.771
Exact Mass 627.363
No. of atoms 94
No. of bonds 96
Polar Surface Area 164.11
LOGP Value 1.67      (Computed with XLOGP3)
2.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 12
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): P03956  
Entrez Gene IDNCBI Entrez Gene ID: 4312  
ASDInformation of known allosteric effects of PDB entries

 
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