Browse entries in the PDBbind-CN Database

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Related entries of code: 1pqc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6s5kRCSB PDB    PDBbind245aa, >6S5K_1|Chain... at 98%
1pq6RCSB PDB    PDBbind253aa, >1PQ6_1|Chains... at 97%
6s4uRCSB PDB    PDBbind245aa, >6S4U_1|Chains... at 98%
6s4tRCSB PDB    PDBbind245aa, >6S4T_1|Chain... at 98%
6s4nRCSB PDB    PDBbind245aa, >6S4N_1|Chains... at 98%
3kfcRCSB PDB    PDBbind253aa, >3KFC_1|Chains... at 97%
4rakRCSB PDB    PDBbind264aa, >4RAK_1|Chains... at 95%
5jy3RCSB PDB    PDBbind264aa, >5JY3_1|Chains... at 95%
6jioRCSB PDB    PDBbind274aa, >6JIO_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2o9iRCSB PDB    PDBbind444
4nb6RCSB PDB    PDBbind444
5ejvRCSB PDB    PDBbind444
5ntqRCSB PDB    PDBbind444

Entry Information
PDB ID1pqc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand Name444
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.1uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg. Med. Chem. Lett., Vol.22, pp.2407-2410
Ligand Properties
Formula C17H12F9NO3S
Molecular Weight 481.333
Exact Mass 481.039
No. of atoms 43
No. of bonds 44
Polar Surface Area 65.99
LOGP Value 4.94      (Computed with XLOGP3)
5.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): P55055  
Entrez Gene IDNCBI Entrez Gene ID: 7376  
ASDInformation of known allosteric effects of PDB entries

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