Browse entries in the PDBbind-CN Database

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Related entries of code: 1a4q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a4gRCSB PDB    PDBbind390aa, >1A4G_1|Chains... at 93%
1b9sRCSB PDB    PDBbind390aa, >1B9S_1|Chain... at 91%
1b9tRCSB PDB    PDBbind390aa, >1B9T_1|Chain... at 91%
1b9vRCSB PDB    PDBbind390aa, >1B9V_1|Chain... at 91%
1infRCSB PDB    PDBbind390aa, >1INF_1|Chain... at 91%
1vcjRCSB PDB    PDBbind389aa, >1VCJ_1|Chain... at 91%
3k37RCSB PDB    PDBbind397aa, >3K37_1|Chains... at 96%
3k39RCSB PDB    PDBbind397aa, >3K39_1|Chains... at 96%
3k3aRCSB PDB    PDBbind397aa, >3K3A_1|Chains... at 96%
4cpyRCSB PDB    PDBbind466aa, >4CPY_1|Chains... *
4cpzRCSB PDB    PDBbind466aa, >4CPZ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1bjiRCSB PDB    PDBbindDPC
Entry Information
PDB ID1a4q
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameneuraminidase
Ligand NameDPC
EC.Number E.C.3.2.1.18
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=3.6uM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem.v41;pp.798-807
Ligand Properties
Formula C20H28N3O5
Molecular Weight 390.453
Exact Mass 390.203
No. of atoms 56
No. of bonds 57
Polar Surface Area 123.58
LOGP Value 0.12      (Computed with XLOGP3)
0.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
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): P27907  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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