Browse entries in the PDBbind-CN Database

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Related entries of code: 6upj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hiiRCSB PDB    PDBbind99aa, >1HII_1|Chains... *
1hshRCSB PDB    PDBbind99aa, >1HSH_1|Chains... at 100%
1idaRCSB PDB    PDBbind99aa, >1IDA_1|Chains... at 100%
1idbRCSB PDB    PDBbind99aa, >1IDB_1|Chains... at 100%
1ivpRCSB PDB    PDBbind99aa, >1IVP_1|Chains... at 98%
1jldRCSB PDB    PDBbind99aa, >1JLD_1|Chains... at 100%
2mipRCSB PDB    PDBbind99aa, >2MIP_1|Chains... at 100%
3s45RCSB PDB    PDBbind99aa, >3S45_1|Chains... at 100%
5upjRCSB PDB    PDBbind99aa, >5UPJ_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6upj
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehiv-2 protease
Ligand NameNIU
EC.Number E.C.3.4.23.16
Resolution 2.34(Å)
Affinity (Kd/Ki/IC50)Ki=480nM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v38 pp. 1884-91, 1995
Ligand Properties
Formula C19H22O3
Molecular Weight 298.376
Exact Mass 298.157
No. of atoms 44
No. of bonds 46
Polar Surface Area 50.44
LOGP Value 4.24      (Computed with XLOGP3)
4.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
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): P04584  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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