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Related entries of code: 1w1t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1o6iRCSB PDB    PDBbind499aa, >1O6I_1|Chains... at 98%
1oggRCSB PDB    PDBbind499aa, >1OGG_1|Chains... at 97%
1ur9RCSB PDB    PDBbind499aa, >1UR9_1|Chains... at 97%
1w1pRCSB PDB    PDBbind499aa, >1W1P_1|Chains... at 98%
1w1vRCSB PDB    PDBbind499aa, >1W1V_1|Chains... at 98%
1w1yRCSB PDB    PDBbind499aa, >1W1Y_1|Chains... at 98%
3wd1RCSB PDB    PDBbind503aa, >3WD1_1|Chain... *
3wd2RCSB PDB    PDBbind503aa, >3WD2_1|Chain... at 100%
4z2gRCSB PDB    PDBbind503aa, >4Z2G_1|Chain... at 100%
4z2hRCSB PDB    PDBbind503aa, >4Z2H_1|Chain... at 100%
4z2iRCSB PDB    PDBbind503aa, >4Z2I_1|Chain... at 100%
4z2jRCSB PDB    PDBbind503aa, >4Z2J_1|Chain... at 100%
4z2kRCSB PDB    PDBbind503aa, >4Z2K_1|Chain... at 100%
4z2lRCSB PDB    PDBbind503aa, >4Z2L_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1w1t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namechitinase b
Ligand NameCHQ
EC.Number E.C.3.2.1.14
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=1.1mM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem.v47;pp.5713
Ligand Properties
Formula C11H14N4O2
Molecular Weight 234.254
Exact Mass 234.112
No. of atoms 31
No. of bonds 33
Polar Surface Area 78.09
LOGP Value -0.44      (Computed with XLOGP3)
-0.29      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
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): Q54276  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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