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Related entries of code: 2a3a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1w9uRCSB PDB    PDBbind433aa, >1W9U_1|Chains... *
1w9vRCSB PDB    PDBbind433aa, >1W9V_1|Chains... at 100%
2a3bRCSB PDB    PDBbind433aa, >2A3B_1|Chains... at 100%
2a3cRCSB PDB    PDBbind433aa, >2A3C_1|Chains... at 100%
2iuzRCSB PDB    PDBbind433aa, >2IUZ_1|Chains... at 100%
3ch9RCSB PDB    PDBbind433aa, >3CH9_1|Chains... at 100%
3chcRCSB PDB    PDBbind433aa, >3CHC_1|Chains... at 100%
3chdRCSB PDB    PDBbind433aa, >3CHD_1|Chains... at 100%
3cheRCSB PDB    PDBbind433aa, >3CHE_1|Chains... at 100%
3chfRCSB PDB    PDBbind433aa, >3CHF_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4eohRCSB PDB    PDBbindTEP

Entry Information
PDB ID2a3a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namechitinase
Ligand NameTEP
EC.Number E.C.3.2.1.14
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=1500uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference CHEM.BIOL.v12;pp.973-980
Ligand Properties
Formula C7H8N4O2
Molecular Weight 180.164
Exact Mass 180.065
No. of atoms 21
No. of bonds 22
Polar Surface Area 72.68
LOGP Value -0.38      (Computed with XLOGP3)
-1.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
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): Q873X9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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