Browse entries in the PDBbind-CN Database

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Related entries of code: 4nrk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4nrlRCSB PDB    PDBbind182aa, >4NRL_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2qwbRCSB PDB    PDBbindSIA
2zg1RCSB PDB    PDBbindSIA
2zg3RCSB PDB    PDBbindSIA
3qndRCSB PDB    PDBbindSIA
4d62RCSB PDB    PDBbindSIA
4d63RCSB PDB    PDBbindSIA
4nrlRCSB PDB    PDBbindSIA
4x11RCSB PDB    PDBbindSIA
6er3RCSB PDB    PDBbindSIA
6er4RCSB PDB    PDBbindSIA
6g47RCSB PDB    PDBbindSIA
Entry Information
PDB ID4nrk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehemagglutinin with F95Y mutation of influenza virus B/Lee/40(F95Y mutant)
Ligand NameSIA
EC.Number E.C.-.-.-.-
Resolution 2.63(Å)
Affinity (Kd/Ki/IC50)Kd=24nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Virology Vol. 450-451: pp. 71-83
Ligand Properties
Formula C11H19NO8
Molecular Weight 293.270
Exact Mass 293.111
No. of atoms 39
No. of bonds 39
Polar Surface Area 156.55
LOGP Value -1.82      (Computed with XLOGP3)
-2.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
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): P03460  
Entrez Gene IDNCBI Entrez Gene ID: 956538  
ASDInformation of known allosteric effects of PDB entries
 
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