Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T54065 | Target Info | |||
| Target Name | Bacterial Phosphoshikimate1-carboxyvinyltransferase (Bact aroA) | ||||
| Synonyms | aroA of Escherichia coli; EPSPS of Escherichia coli; EPSP synthase of Escherichia coli; 5-enolpyruvylshikimate-3-phosphate synthase of Escherichia coli | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Bact aroA | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Glyphosate | Ligand Info | |||
| Canonical SMILES | C(C(=O)O)NCP(=O)(O)O | ||||
| InChI | 1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | ||||
| InChIKey | XDDAORKBJWWYJS-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3496 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3FJZ E. coli EPSP synthase (T97I) liganded with S3P and glyphosate | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
MESLTLQPIA
10 RVDGTINLPG20 SKSVSNRALL30 LAALAHGKTV40 LTNLLDSDDV50 RHMLNALTAL 60 GVSYTLSADR70 TRCEIIGNGG80 PLHAEGALEL90 FLGNAGIAMR100 PLAAALCLGS 110 NDIVLTGEPR120 MKERPIGHLV130 DALRLGGAKI140 TYLEQENYPP150 LRLQGGFTGG 160 NVDVDGSVSS170 QFLTALLMTA180 PLAPEDTVIR190 IKGDLVSKPY200 IDITLNLMKT 210 FGVEIENQHY220 QQFVVKGGQS230 YQSPGTYLVE240 GDASSASYFL250 AAAAIKGGTV 260 KVTGIGRNSM270 QGDIRFADVL280 EKMGATICWG290 DDYISCTRGE300 LNAIDMDMNH 310 IPDAAMTIAT320 AALFAKGTTT330 LRNIYNWRVK340 ETDRLFAMAT350 ELRKVGAEVE 360 EGHDYIRITP370 PEKLNFAEIA380 TYNDHRMAMC390 FSLVALSDTP400 VTILDPKCTA 410 KTFPDYFEQL420 ARISQAA
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| PDB ID: 3FK1 E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
MESLTLQPIA
10 RVDGTINLPG20 SKSVSNRALL30 LAALAHGKTV40 LTNLLDSDDV50 RHMLNALTAL 60 GVSYTLSADR70 TRCEIIGNGG80 PLHAEGALEL90 FLGNAGIAMR100 SLAAALCLGS 110 NDIVLTGEPR120 MKERPIGHLV130 DALRLGGAKI140 TYLEQENYPP150 LRLQGGFTGG 160 NVDVDGSVSS170 QFLTALLMTA180 PLAPEDTVIR190 IKGDLVSKPY200 IDITLNLMKT 210 FGVEIENQHY220 QQFVVKGGQS230 YQSPGTYLVE240 GDASSASYFL250 AAAAIKGGTV 260 KVTGIGRNSM270 QGDIRFADVL280 EKMGATICWG290 DDYISCTRGE300 LNAIDMDMNH 310 IPDAAMTIAT320 AALFAKGTTT330 LRNIYNWRVK340 ETDRLFAMAT350 ELRKVGAEVE 360 EGHDYIRITP370 PEKLNFAEIA380 TYNDHRMAMC390 FSLVALSDTP400 VTILDPKCTA 410 KTFPDYFEQL420 ARISQAA
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of glyphosate resistance resulting from the double mutation Thr97 -> Ile and Pro101 -> Ser in 5-enolpyruvylshikimate-3-phosphate synthase from Escherichia coli. J Biol Chem. 2009 Apr 10;284(15):9854-60. | ||||
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