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Related entries of code: 4w54
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
184lRCSB PDB    PDBbind164aa, >184L_1|Chain... at 96%
185lRCSB PDB    PDBbind164aa, >185L_1|Chain... at 96%
186lRCSB PDB    PDBbind164aa, >186L_1|Chain... at 96%
187lRCSB PDB    PDBbind164aa, >187L_1|Chain... at 96%
188lRCSB PDB    PDBbind164aa, >188L_1|Chain... at 96%
1l83RCSB PDB    PDBbind164aa, >1L83_1|Chain... at 96%
1lgwRCSB PDB    PDBbind164aa, >1LGW_1|Chain... at 95%
1li2RCSB PDB    PDBbind164aa, >1LI2_1|Chain... at 95%
1li3RCSB PDB    PDBbind164aa, >1LI3_1|Chain... at 95%
1li6RCSB PDB    PDBbind164aa, >1LI6_1|Chain... at 95%
220lRCSB PDB    PDBbind164aa, >220L_1|Chain... at 96%
223lRCSB PDB    PDBbind164aa, >223L_1|Chain... at 95%
3runRCSB PDB    PDBbind168aa, >3RUN_1|Chain... at 95%
4w52RCSB PDB    PDBbind172aa, >4W52_1|Chain... at 94%
4w53RCSB PDB    PDBbind172aa, >4W53_1|Chain... at 94%
4w55RCSB PDB    PDBbind172aa, >4W55_1|Chain... at 94%
4w57RCSB PDB    PDBbind172aa, >4W57_1|Chain... at 94%
6ajjRCSB PDB    PDBbind943aa, >6AJJ_1|Chain... at 100%
6ajiRCSB PDB    PDBbind943aa, >6AJI_1|Chain... at 100%
6ajhRCSB PDB    PDBbind943aa, >6AJH_1|Chain... at 100%
6ajgRCSB PDB    PDBbind943aa, >6AJG_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4w54
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameT4 Lysozyme L99A
Ligand NamePYJ
EC.Number E.C.3.2.1.17
Resolution 1.79(Å)
Affinity (Kd/Ki/IC50)Kd=68uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. 5039-5044
Ligand Properties
Formula C8H10
Molecular Weight 106.165
Exact Mass 106.078
No. of atoms 18
No. of bonds 18
Polar Surface Area 0
LOGP Value 2.72      (Computed with XLOGP3)
2.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 0
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): P00720  
Entrez Gene IDNCBI Entrez Gene ID: 1258585  
ASDInformation of known allosteric effects of PDB entries
 
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