Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T66040 | Target Info | |||
| Target Name | Bacterial Penicillin binding protein 2 (Bact mrdA) | ||||
| Synonyms | PBP-2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | Bact mrdA | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid | Ligand Info | |||||
| Structure Description | Structural basis for the inhibition of E. coli PBP2 | PDB:6G9S | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
NRIKLVPIAP
66 SRGIIYDRNG76 IPLALNRTIY86 QIEMMPEKVD96 NVQQTLDALR106 SVVDLTDDDI 116 AAFRKERARS126 HRFTSIPVKT136 NLTEVQVARF146 AVNQYRFPGV156 EVKGYKRRYY 166 PYGSALTHVI176 GYVSKINDKD186 VERLNNDGKL196 ANYAATHDIG206 KLGIERYYED 216 VLHGQTGYEE226 VEVNNRGRVI236 RQLKEVPPQA246 GHDIYLTLDL256 KLQQYIETLL 266 AGSRAAVVVT276 DPRTGGVLAL286 VSTPSYDPNL296 FVDGISSKDY306 SALLNDPNTP 316 LVNRATQGVY326 PPASTVKPYV336 AVSALSAGVI346 TRNTTLFDPG356 WWQLPGSEKR 366 YRDWKKWGHG376 RLNVTRSLEE386 SADTFFYQVA396 YDMGIDRLSE406 WMGKFGYGHY 416 TGIDLAEERS426 GNMPTREWKQ436 KRFKKPWYQG446 DTIPVGIGQG456 YWTATPIQMS 466 KALMILINDG476 IVKVPHLLMS486 TAEDGKQVPW496 VQPHEPPVGD506 IHSGYWELAK 516 DGMYGVANRP526 NGTAHKYFAS536 APYKIAAKSG546 TAQRDHKLMT575 AFAPYNNPQV 585 AVAMILENGG595 AGPAVGTLMR605 QILDHIML
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| Ligand Name: [[(3R,6S)-6-carbamoyl-1-formylpiperidin-3-yl]amino] hydrogen sulfate | Ligand Info | |||||
| Structure Description | Structural basis for the inhibition of E. coli PBP2 | PDB:6G9F | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [1] |
| PDB Sequence |
NRIKLVPIAP
66 SRGIIYDRNG76 IPLALNRTIY86 QIEMMPEKVD96 NVQQTLDALR106 SVVDLTDDDI 116 AAFRKERARS126 HRFTSIPVKT136 NLTEVQVARF146 AVNQYRFPGV156 EVKGYKRRYY 166 PYGSALTHVI176 GYVSKINDKD186 VERLNNDGKL196 ANYAATHDIG206 KLGIERYYED 216 VLHGQTGYEE226 VEVNNRGRVI236 RQLKEVPPQA246 GHDIYLTLDL256 KLQQYIETLL 266 AGSRAAVVVT276 DPRTGGVLAL286 VSTPSYDPNL296 FVDGISSKDY306 SALLNDPNTP 316 LVNRATQGVY326 PPASTVKPYV336 AVSALSAGVI346 TRNTTLFDPG356 WWQLPGSEKR 366 YRDWKKWGHG376 RLNVTRSLEE386 SADTFFYQVA396 YDMGIDRLSE406 WMGKFGYGHY 416 TGIDLAEERS426 GNMPTREWKQ436 KRFKKPWYQG446 DTIPVGIGQG456 YWTATPIQMS 466 KALMILINDG476 IVKVPHLLMS486 TAEDGKQVPW496 VQPHEPPVGD506 IHSGYWELAK 516 DGMYGVANRP526 NGTAHKYFAS536 APYKIAAKSG546 TAQLRDHKLM574 TAFAPYNNPQ 584 VAVAMILENG594 GAGPAVGTLM604 RQILDHIML
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design. J Med Chem. 2019 May 9;62(9):4742-4754. | ||||
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