Browse entries in the PDBbind-CN Database

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Related entries of code: 3ti5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ckzRCSB PDB    PDBbind385aa, >3CKZ_1|Chain... at 90%
3cl0RCSB PDB    PDBbind385aa, >3CL0_1|Chain... at 90%
3cl2RCSB PDB    PDBbind385aa, >3CL2_1|Chains... at 90%
3ti3RCSB PDB    PDBbind388aa, >3TI3_1|Chains... at 98%
3ti4RCSB PDB    PDBbind388aa, >3TI4_1|Chains... at 98%
3ti6RCSB PDB    PDBbind388aa, >3TI6_1|Chains... at 98%
4b7jRCSB PDB    PDBbind469aa, >4B7J_1|Chain... *
4b7nRCSB PDB    PDBbind469aa, >4B7N_1|Chain... at 100%
4b7qRCSB PDB    PDBbind469aa, >4B7Q_1|Chains... at 99%
4b7rRCSB PDB    PDBbind387aa, >4B7R_1|Chains... at 98%
5nweRCSB PDB    PDBbind388aa, >5NWE_1|Chains... at 98%
5nz4RCSB PDB    PDBbind388aa, >5NZ4_1|Chains... at 98%
5nzeRCSB PDB    PDBbind388aa, >5NZE_1|Chains... at 98%
5nzfRCSB PDB    PDBbind388aa, >5NZF_1|Chains... at 98%
5nznRCSB PDB    PDBbind388aa, >5NZN_1|Chains... at 98%
6hp0RCSB PDB    PDBbind388aa, >6HP0_1|Chains... at 98%
6g02RCSB PDB    PDBbind387aa, >6G02_1|Chains... at 98%
6g01RCSB PDB    PDBbind387aa, >6G01_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a4gRCSB PDB    PDBbindZMR
2f0zRCSB PDB    PDBbindZMR
2ya7RCSB PDB    PDBbindZMR
3ckzRCSB PDB    PDBbindZMR
3ticRCSB 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 ID3ti5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name2009 pandemic H1N1 neuraminidase
Ligand NameZMR
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=1.11nM
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): C3W5S3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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