Reaction Details Report a problem with these data
Target
Penicillin-binding protein 3
Ligand
BDBM50370584
Substrate
n/a
Meas. Tech.
ChEMBL_1289590 (CHEMBL3117909)
KON
28 M-1s-1
Citation
 Dave, K; Palzkill, T; Pratt, RF Neutral ?-Lactams Inactivate High Molecular Mass Penicillin-Binding Proteins of Class B1, Including PBP2a of MRSA. ACS Med Chem Lett 5:154-7 (2014) [PubMed]  Article 
Target
Name:
Penicillin-binding protein 3
Synonyms:
PBP 3 | PBPC_BACSU | PSPB20 | Penicillin-binding protein 3 | Penicillin-binding protein C | pbpC | ycsM | yzsA | yzsA
Type:
PROTEIN
Mol. Mass.:
74405.44
Organism:
Bacillus subtilis (strain 168)
Description:
ChEMBL_108031
Residue:
668
Sequence:
MLKKCILLVFLCVGLIGLIGCSKTDSPEDRMEAFVKQWNDQQFDDMYQSLTKDVKKEISKKDFVNRYKAIYEQAGVKNLKVTAGEVDKDDQDNKTMKHIPYKVSMNTNAGKVSFKNTAVLKLEKTDDEESWNIDWDPSFIFKQLADDKTVQIMSIEPKRGQIYDKNGKGLAVNTDVPEIGIVPGELGDKKEKVIKELAKKLDLTEDDIKKKLDQGWVKDDSFVPLKKVKPDQEKLVSEATSLQGVTRTNVSSRYYPYGEKTAHLTGYVRAITAEELKKKKEGTYSDTSNIGIAGLENVYEDKLRGTTGWKIYVPQTGEVIAEKKAKDGEDLHLTIDIKTQMKLYDELKDDSGAAVALQPKTGETLALVSAPSYDPNGFIFGWSDKEWKKLNKDKNNPFSAKFNKTYAPGSTIKPIAAAIGIKNGTLKADEKKTIKGKEWQKDSSWGGYSVTRVSERLQQVDLENALITSDNIYFAQNALDMGADTFTKGLKTFGFSEDVPYEFPIQKSSIANDKLDSDILLADTGYGQGQMQMSPLHLATAYTPFVDNGDLVKPTLIKKDSQTADVWHKQVVTKEGAADITKGLKGVVEDERGSAYQPVVKGITVAGKTGTAELKTSKDDKDGTENGWFVGYDYENKDLLVAMMIQNVQDRGGSHYVVEKAKKQFQSN
  
Inhibitor
Name:
BDBM50370584
Synonyms:
Beepen-VK | Betapen-VK | PENICILLIN V | Penapar-VK | Penicillin Phenoxymethyl
Type:
Small organic molecule
Emp. Form.:
C16H18N2O5S
Mol. Mass.:
350.39
SMILES:
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: