Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T91001 | Target Info | |||
| Target Name | Bacterial Elongation factor Tu (Bact EFTu) | ||||
| Synonyms | tufA; P43; Elongation factor Tu 1; EFTu 1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Bact EFTu | ||||
| Biochemical Class | GTP-binding elongation factor family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (3R,4R)-4-hydroxy-3-methyl-L-proline | Ligand Info | |||
| Canonical SMILES | CC1C(CNC1C(=O)O)O | ||||
| InChI | 1S/C6H11NO3/c1-3-4(8)2-7-5(3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1 | ||||
| InChIKey | OKDDZUAFBARWMD-YUPRTTJUSA-N | ||||
| PubChem Compound ID | 11217328 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5JBQ EF-TU (ESCHERICHIA COLI) IN COMPLEX WITH THIOMURACIN ANALOG | ||||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [1] |
| PDB Sequence |
KEKFERTKPH
11 VNVGTIGHVD21 HGKTTLTAAI31 TTVLAKTYGG41 AARAFDQIDN51 APEEKARGIT 61 INTSHVEYDT71 PTRHYAHVDC81 PGHADYVKNM91 ITGAAQMDGA101 ILVVAATDGP 111 MPQTREHILL121 GRQVGVPYII131 VFLNKCDMVD141 DEELLELVEM151 EVRELLSQYD 161 FPGDDTPIVR171 GSALKALEGD181 AEWEAKILEL191 AGFLDSYIPE201 PERAIDKPFL 211 LPIEDVFSIS221 GRGTVVTGRV231 ERGIIKVGEE241 VEIVGIKETQ251 KSTCTGVEMF 261 RKLLDEGRAG271 ENVGVLLRGI281 KREEIERGQV291 LAKPGTIKPH301 TKFESEVYIL 311 SKDEGGRHTP321 FFKGYRPQFY331 FRTTDVTGTI341 ELPEGVEMVM351 PGDNIKMVVT 361 LIHPIAMDDG371 LRFAIREGGR381 TVGAGVVAKV391 LG
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| PDB ID: 4G5G ef-tu (Escherichia coli) complexed with nvp-ldu796 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
EKFERTKPHV
12 NVGTIGHVDH22 GKTTLTAAIT32 TVLAKTYGGA42 ARAFDQIDNA52 PEEKARGITI 62 NTSHVEYDTP72 TRHYAHVDCP82 GHADYVKNMI92 TGAAQMDGAI102 LVVAATDGPM 112 PQTREHILLG122 RQVGVPYIIV132 FLNKCDMVDD142 EELLELVEME152 VRELLSQYDF 162 PGDDTPIVRG172 SALKALEGDA182 EWEAKILELA192 GFLDSYIPEP202 ERAIDKPFLL 212 PIEDVFSISG222 RGTVVTGRVE232 RGIIKVGEEV242 EIVGIKETQK252 STCTGVEMFR 262 KLLDEGRAGE272 NVGVLLRGIK282 REEIERGQVL292 AKPGTIKPHT302 KFESEVYILS 312 KDEGGRHTPF322 FKGYRPQFYF332 RTTDVTGTIE342 LPEGVEMVMP352 GDNIKMVVTL 362 IHPIAMDDGL372 RFAIREGGRT382 VGAGVVAKVL392 G
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Antibacterial and Solubility Optimization of Thiomuracin A. J Med Chem. 2016 Jul 28;59(14):6920-8. | ||||
| REF 2 | Antibiotic optimization and chemical structure stabilization of thiomuracin A. J Med Chem. 2012 Aug 9;55(15):6934-41. | ||||
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