Browse entries in the PDBbind-CN Database

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Related entries of code: 2a3c
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%
2a3aRCSB PDB    PDBbind433aa, >2A3A_1|Chains... at 100%
2a3bRCSB PDB    PDBbind433aa, >2A3B_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
3arrRCSB PDB    PDBbindPNX
3aruRCSB PDB    PDBbindPNX
3tvxRCSB PDB    PDBbindPNX

Entry Information
PDB ID2a3c
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namechitinase
Ligand NamePNX
EC.Number E.C.3.2.1.14
Resolution 2.07(Å)
Affinity (Kd/Ki/IC50)Ki=37uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference CHEM.BIOL.v12;pp.973-980
Ligand Properties
Formula C13H18N4O3
Molecular Weight 278.307
Exact Mass 278.138
No. of atoms 38
No. of bonds 39
Polar Surface Area 78.89
LOGP Value -0.06      (Computed with XLOGP3)
0.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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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