Browse entries in the PDBbind-CN Database

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Related entries of code: 1nxy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eroRCSB PDB    PDBbind263aa, >1ERO_1|Chain... at 96%
1erqRCSB PDB    PDBbind263aa, >1ERQ_1|Chain... at 96%
1jtdRCSB PDB    PDBbind263aa, >1JTD_1|Chain... at 96%
1ny0RCSB PDB    PDBbind263aa, >1NY0_1|Chain... at 96%
1nymRCSB PDB    PDBbind263aa, >1NYM_1|Chain... at 96%
1nyyRCSB PDB    PDBbind263aa, >1NYY_1|Chain... at 96%
1pzoRCSB PDB    PDBbind263aa, >1PZO_1|Chain... at 96%
1pzpRCSB PDB    PDBbind263aa, >1PZP_1|Chain... at 96%
5npoRCSB PDB    PDBbind265aa, >5NPO_2|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1mxoRCSB PDB    PDBbindSM2
1pi5RCSB PDB    PDBbindSM2
1ym1RCSB PDB    PDBbindSM2
5w13RCSB PDB    PDBbindSM2
Entry Information
PDB ID1nxy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-lactamase tem
Ligand NameSM2
EC.Number E.C.3.5.2.6
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=64nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v42 pp. 8434-44, 2003
Ligand Properties
Formula C14H14BNO5S
Molecular Weight 319.141
Exact Mass 319.069
No. of atoms 36
No. of bonds 37
Polar Surface Area 135.1
LOGP Value 1.93      (Computed with XLOGP3)
1.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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): P62593  
Entrez Gene IDNCBI Entrez Gene ID: 59692520  
ASDInformation of known allosteric effects of PDB entries
 
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