Browse entries in the PDBbind-CN Database

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Related entries of code: 4tyt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4c1cRCSB PDB    PDBbind227aa, >4C1C_1|Chain... *
4c1hRCSB PDB    PDBbind227aa, >4C1H_1|Chain... at 100%
4nq6RCSB PDB    PDBbind222aa, >4NQ6_1|Chain... at 100%
5fqbRCSB PDB    PDBbind227aa, >5FQB_1|Chain... at 100%
5jmxRCSB PDB    PDBbind227aa, >5JMX_1|Chain... at 100%
6eumRCSB PDB    PDBbind227aa, >6EUM_1|Chain... at 100%
6eweRCSB PDB    PDBbind227aa, >6EWE_1|Chain... at 100%
6f2nRCSB PDB    PDBbind227aa, >6F2N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pvtRCSB PDB    PDBbindS3C
6ew3RCSB PDB    PDBbindS3C

Entry Information
PDB ID4tyt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase 2 BcII MBL
Ligand NameS3C
EC.Number E.C.3.5.2.6
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.02uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Nat.Chem. Vol. 6: pp. 1084-1090
Ligand Properties
Formula C9H5Cl3O2S
Molecular Weight 283.559
Exact Mass 281.908
No. of atoms 20
No. of bonds 20
Polar Surface Area 76.1
LOGP Value 5.00      (Computed with XLOGP3)
4.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
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): P04190  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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