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Related entries of code: 6iyv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6rrmRCSB PDB    PDBbind355aa, >6RRM_1|Chains... *
6iywRCSB PDB    PDBbind272aa, >6IYW_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6iyv
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameL,D-transpeptidase 2
Ligand Name2RG
EC.Number E.C.-.-.-.-
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Kd=1.32uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Biochem. Biophys. Res. Commun. Vol. 510: pp. 254-260
Ligand Properties
Formula C22H28N3O7S
Molecular Weight 478.539
Exact Mass 478.165
No. of atoms 61
No. of bonds 63
Polar Surface Area 195.27
LOGP Value 0.13      (Computed with XLOGP3)
0.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
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): I6Y9J2  
Entrez Gene IDNCBI Entrez Gene ID: 888160  
ASDInformation of known allosteric effects of PDB entries

 
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