Browse entries in the PDBbind-CN Database

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Related entries of code: 1q1y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3u7kRCSB PDB    PDBbind191aa, >3U7K_1|Chain... at 100%
3u7lRCSB PDB    PDBbind191aa, >3U7L_1|Chain... at 100%
3u7mRCSB PDB    PDBbind191aa, >3U7M_1|Chain... at 100%
3u7nRCSB PDB    PDBbind191aa, >3U7N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g2aRCSB PDB    PDBbindBB2
1ws1RCSB PDB    PDBbindBB2
3g5kRCSB PDB    PDBbindBB2
3m6pRCSB PDB    PDBbindBB2
3m6qRCSB PDB    PDBbindBB2
3m6rRCSB PDB    PDBbindBB2
3pn4RCSB PDB    PDBbindBB2
4dr9RCSB PDB    PDBbindBB2
4je7RCSB PDB    PDBbindBB2
4q4eRCSB PDB    PDBbindBB2
5jf1RCSB PDB    PDBbindBB2
5mteRCSB PDB    PDBbindBB2

Entry Information
PDB ID1q1y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePeptide Deformylase from Staphylococcus aureus
Ligand NameBB2
EC.Number E.C.3.5.1.88
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=0.02uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J. Nat. Prod., Vol.75, pp.271-274
Ligand Properties
Formula C19H33N3O6
Molecular Weight 399.482
Exact Mass 399.237
No. of atoms 61
No. of bonds 61
Polar Surface Area 136.04
LOGP Value 2.68      (Computed with XLOGP3)
2.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 9
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): P68826  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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