Browse entries in the PDBbind-CN Database

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Related entries of code: 3tic
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ingRCSB PDB    PDBbind388aa, >1ING_1|Chains... at 96%
1inhRCSB PDB    PDBbind388aa, >1INH_1|Chains... at 96%
3tiaRCSB PDB    PDBbind469aa, >3TIA_1|Chains... *
3tibRCSB PDB    PDBbind469aa, >3TIB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a4gRCSB PDB    PDBbindZMR
2f0zRCSB PDB    PDBbindZMR
2ya7RCSB PDB    PDBbindZMR
3ckzRCSB PDB    PDBbindZMR
3ti5RCSB PDB    PDBbindZMR
4b7nRCSB PDB    PDBbindZMR
4b7qRCSB PDB    PDBbindZMR
4cpzRCSB PDB    PDBbindZMR
4mwrRCSB PDB    PDBbindZMR
4mwxRCSB PDB    PDBbindZMR
5l17RCSB PDB    PDBbindZMR
6ekuRCSB PDB    PDBbindZMR
Entry Information
PDB ID3tic
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name1957 pandemic H2N2 neuraminidase
Ligand NameZMR
EC.Number E.C.-.-.-.-
Resolution 1.89(Å)
Affinity (Kd/Ki/IC50)IC50=1.36nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos Pathog. Vol. 7: pp. e1002249-e1002249
Ligand Properties
Formula C12H23N4O7
Molecular Weight 335.334
Exact Mass 335.157
No. of atoms 46
No. of bonds 46
Polar Surface Area 202.33
LOGP Value -0.61      (Computed with XLOGP3)
-4.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 11
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): Q194T1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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