Browse entries in the PDBbind-CN Database

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Related entries of code: 4exs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5a5zRCSB PDB    PDBbind251aa, >5A5Z_1|Chains... at 96%
6rmfRCSB PDB    PDBbind244aa, >6RMF_1|Chains... at 99%
6q2yRCSB PDB    PDBbind244aa, >6Q2Y_1|Chains... at 100%
6q30RCSB PDB    PDBbind244aa, >6Q30_1|Chains... at 100%
6ovzRCSB PDB    PDBbind235aa, >6OVZ_1|Chains... at 100%
6mduRCSB PDB    PDBbind233aa, >6MDU_1|Chain... at 98%
6ibvRCSB PDB    PDBbind244aa, >6IBV_1|Chains... at 100%
6ibsRCSB PDB    PDBbind244aa, >6IBS_1|Chains... at 100%
6efjRCSB PDB    PDBbind233aa, >6EFJ_1|Chain... at 98%
6d1kRCSB PDB    PDBbind233aa, >6D1K_1|Chain... at 98%
6d1iRCSB PDB    PDBbind233aa, >6D1I_1|Chain... at 98%
6d1jRCSB PDB    PDBbind233aa, >6D1J_1|Chain... at 98%
6d1hRCSB PDB    PDBbind233aa, >6D1H_1|Chain... at 98%
6d1gRCSB PDB    PDBbind233aa, >6D1G_1|Chain... at 98%
6d1dRCSB PDB    PDBbind233aa, >6D1D_1|Chain... at 98%
6d1bRCSB PDB    PDBbind233aa, >6D1B_1|Chain... at 98%
6d1aRCSB PDB    PDBbind233aa, >6D1A_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1j37RCSB PDB    PDBbindX8Z
2x8zRCSB PDB    PDBbindX8Z
4c1dRCSB PDB    PDBbindX8Z
4c1fRCSB PDB    PDBbindX8Z
4c1hRCSB PDB    PDBbindX8Z
4pqaRCSB PDB    PDBbindX8Z
Entry Information
PDB ID4exs
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-lactamase NDM-1
Ligand NameX8Z
EC.Number E.C.3.5.2.6
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=39.0uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Am.Chem.Soc. Vol. 134: pp. 11362-11365
Ligand Properties
Formula C9H15NO3S
Molecular Weight 217.285
Exact Mass 217.077
No. of atoms 29
No. of bonds 29
Polar Surface Area 96.41
LOGP Value 1.52      (Computed with XLOGP3)
0.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): C7C422  
Entrez Gene IDNCBI Entrez Gene ID: 61419528  
ASDInformation of known allosteric effects of PDB entries
 
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