| Reaction Details |
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 | Report a problem with these data |
| Target | Peptidoglycan D,D-transpeptidase FtsI |
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| Ligand | BDBM104100 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | IC50 Assay |
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| pH | 7.2±n/a |
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| Temperature | 298.15±n/a K |
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| IC50 | 1.26e+5± 1.8e+4 nM |
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| Comments | extracted |
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| 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 Biol8:2112-6 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Peptidoglycan D,D-transpeptidase FtsI |
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| Name: | Peptidoglycan D,D-transpeptidase FtsI |
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| Synonyms: | Penicillin binding protein 3 (PBP3) |
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| Type: | Protein |
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| Mol. Mass.: | 62820.53 |
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| Organism: | Pseudomonas aeruginosa |
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| Description: | A6VB91 |
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| Residue: | 579 |
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| Sequence: | MKLNHFQGALYPWRFCVIVGLLLAMVGAIVWRIVDLHVIDHDFLKGQGDARSVRHIAIPA
HRGLITDRNGEPLAVSTPVTTLWANPKELMAAKERWPQLAAALGQDTKLFADRIEQNAER
EFIYLVRGLTPEQGEGVISLKVPGVYSIEEFRRFYPAGEVVAHAVGFTDVDDRGREGIEL
AFDEWLAGVPGKRQVLKDRRGRVIKDVQVTKNAKPGKTLALSIDLRLQYLAHRELRNALV
ENGAKAGSLVIMDVKTGEILAMTNQPTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFS
MSAALASGRWKPSDIVDVYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFD
IGAESIYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTAIQLAH
AYAALANDGKSVPLSMTRVDRVPDGVQVISPEVASTVQGMLQQVVEAQGGVFRAQVPGYH
AAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATDPRIAMVVVIDEPSKAGYFGGLVSAP
VFSKVMAGALRLMNVPPDNLPTATEQQQVNAAPAKGGRG
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| BDBM104100 |
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| n/a |
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| Name | BDBM104100 |
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| Synonyms: | (5S)-PA | (5S)-Penicilloic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C23H31N5O8S |
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| Mol. Mass. | 537.586 |
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| 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| |
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| Structure | 
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