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Related entries of code: 1qji
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6ht9RCSB PDB    PDBbind251aa, >6HT9_1|Chains... *
6sazRCSB PDB    PDBbind202aa, >6SAZ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1qji
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameastacin
Ligand NamePKF
EC.Number E.C.3.4.24.21
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)Ki=14uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Nat.Struct.Biol. v3 pp. 671-5, 1996
Ligand Properties
Formula C37H54N5O9P
Molecular Weight 743.827
Exact Mass 743.366
No. of atoms 106
No. of bonds 109
Polar Surface Area 216.04
LOGP Value 2.15      (Computed with XLOGP3)
2.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
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): P07584  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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