Reaction Details
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Peptidoglycan D,D-transpeptidase FtsI
Ligand
BDBM104099
Substrate
n/a
Meas. Tech.
IC50 Assay
pH
7.2±n/a
Temperature
298.15±n/a K
IC50
1.96e+5± 2.8e+4 nM
Comments
extracted
Citation
van Berkel, SS; Nettleship, JE; Leung, IK; Brem, J; Choi, H; Stuart, DI; Claridge, TD; McDonough, MA; Owens, RJ; Ren, J; Schofield, CJ Binding of (5S)-penicilloic acid to penicillin binding protein 3. ACS Chem Biol 8:2112-6 (2013) [PubMed] Article More Info.:
Target
Name:
Peptidoglycan D,D-transpeptidase FtsI
Synonyms:
Penicillin binding protein 3 (PBP3)
Type:
Protein
Mol. Mass.:
62820.53
Organism:
Pseudomonas aeruginosa
Description:
A6VB91
Residue:
579
Sequence:
MKLNHFQGALYPWRFCVIVGLLLAMVGAIVWRIVDLHVIDHDFLKGQGDARSVRHIAIPAHRGLITDRNGEPLAVSTPVTTLWANPKELMAAKERWPQLAAALGQDTKLFADRIEQNAEREFIYLVRGLTPEQGEGVISLKVPGVYSIEEFRRFYPAGEVVAHAVGFTDVDDRGREGIELAFDEWLAGVPGKRQVLKDRRGRVIKDVQVTKNAKPGKTLALSIDLRLQYLAHRELRNALVENGAKAGSLVIMDVKTGEILAMTNQPTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFSMSAALASGRWKPSDIVDVYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFDIGAESIYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTAIQLAHAYAALANDGKSVPLSMTRVDRVPDGVQVISPEVASTVQGMLQQVVEAQGGVFRAQVPGYHAAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATDPRIAMVVVIDEPSKAGYFGGLVSAPVFSKVMAGALRLMNVPPDNLPTATEQQQVNAAPAKGGRG
Inhibitor
Name:
BDBM104099
Synonyms:
(5R)-PA | (5R)-Penicilloic acid
Type:
Small organic molecule
Emp. Form.:
C23H31N5O8S
Mol. Mass.:
537.586
SMILES:
CCN1CCN(C(=O)N[C@H](C2CC=CC=C2)C(=O)N[C@@H]([C@@H]2N[C@@H](C(O)=O)C(C)(C)S2)C(O)=O)C(=O)C1=O |r,c:12,14|
Structure:
