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 | (2Z)-2-amino-3-sulfanylbut-2-enoic acid | Ligand Info | |||
| Canonical SMILES | CC(=C(C(=O)O)N)S | ||||
| InChI | 1S/C4H7NO2S/c1-2(8)3(5)4(6)7/h8H,5H2,1H3,(H,6,7)/b3-2- | ||||
| InChIKey | UDVAMSWYAZEHGC-IHWYPQMZSA-N | ||||
| PubChem Compound ID | 49866683 | ||||
| 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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| PDB ID: 3U6K Ef-tu (escherichia coli) in complex with nvp-ldk733 | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [3] |
| PDB Sequence |
TKPHVNVGTI
17 GHVDHGKTTL27 TAAITTVLAK37 TYGGAARAFD47 QIDNAPEEKA57 RGITINTSHV 67 EYDTPTRHYA77 HVDCPGHADY87 VKNMITGAAQ97 MDGAILVVAA107 TDGPMPQTRE 117 HILLGRQVGV127 PYIIVFLNKC137 DMVDDEELLE147 LVEMEVRELL157 SQYDFPGDDT 167 PIVRGSALKA177 LEGDAEWEAK187 ILELAGFLDS197 YIPEPERAID207 KPFLLPIEDV 217 FSISGRGTVV227 TGRVERGIIK237 VGEEVEIVGI247 KETQKSTCTG257 VEMFRKLLDE 267 GRAGENVGVL277 LRGIKREEIE287 RGQVLAKPGT297 IKPHTKFESE307 VYILSKDEGG 317 RHTPFFKGYR327 PQFYFRTTDV337 TGTIELPEGV347 EMVMPGDNIK357 MVVTLIHPIA 367 MDDGLRFAIR377 EGGRTVGAGV387 VAKVLG
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| PDB ID: 3U2Q EF-Tu (Escherichia coli) in complex with NVP-LFF571 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [4] |
| PDB Sequence |
ERTKPHVNVG
15 TIGHVDHGKT25 TLTAAITTVL35 AKTYGGAARA45 FDQIDNAPEE55 KATINTSHVE 68 YDTPTRHYAH78 VDCPGHADYV88 KNMITGAAQM98 DGAILVVAAT108 DGPMPQTREH 118 ILLGRQVGVP128 YIIVFLNKCD138 MVDDEELLEL148 VEMEVRELLS158 QYDFPGDDTP 168 IVRGSALKAL178 EGDAEWEAKI188 LELAGFLDSY198 IPEPERAIDK208 PFLLPIEDVF 218 SISGRGTVVT228 GRVERGIIKV238 GEEVEIVGIK248 ETQKSTCTGV258 EMFRKLLDEG 268 RAGENVGVLL278 RGIKREEIER288 GQVLAKPGTI298 KPHTKFESEV308 YILSKDEGGR 318 HTPFFKGYRP328 QFYFRTTDVT338 GTIELPEGVE348 MVMPGDNIKM358 VVTLIHPIAM 368 DDGLRFAIRE378 GGRTVGAGVV388 AKVLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BB6 or .BB62 or .BB63 or :3BB6;style chemicals stick;color identity;select .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1D8T CRYSTAL STRUCTURE OF ELONGATION FACTOR, TU (EF-TU-MGGDP) COMPLEXED WITH GE2270A, A THIAZOLYL PEPTIDE ANTIBIOTIC | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [5] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BB6 or .BB62 or .BB63 or :3BB6;style chemicals stick;color identity;select .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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. | ||||
| REF 3 | Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids. J Med Chem. 2011 Dec 8;54(23):8099-109. | ||||
| REF 4 | Discovery of LFF571: an investigational agent for Clostridium difficile infection. J Med Chem. 2012 Mar 8;55(5):2376-87. | ||||
| REF 5 | Structure of an EF-Tu complex with a thiazolyl peptide antibiotic determined at 2.35 A resolution: atomic basis for GE2270A inhibition of EF-Tu. Biochemistry. 2000 Jan 11;39(1):37-45. | ||||
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