Browse entries in the PDBbind-CN Database

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Related entries of code: 3wd2
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%
1w1tRCSB PDB    PDBbind499aa, >1W1T_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... *
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 ID3wd2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameChitinase B
Ligand NameA1L
EC.Number E.C.3.2.1.14
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.58uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 15892-15897
Ligand Properties
Formula C24H32N9O3
Molecular Weight 494.569
Exact Mass 494.263
No. of atoms 68
No. of bonds 69
Polar Surface Area 180.28
LOGP Value 3.36      (Computed with XLOGP3)
1.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 12
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): P11797  
Entrez Gene IDNCBI Entrez Gene ID: 61709840  
ASDInformation of known allosteric effects of PDB entries
 
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