Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
EFTU1_ECOLI
Ligand General Information  Top
Ligand Name Tetracycline Ligand Info
Canonical SMILES CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
InChI 1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
InChIKey NWXMGUDVXFXRIG-WESIUVDSSA-N
PubChem Compound ID 54675776
Drug Binding Sites of Target  Top
PDB ID: 2HCJ      Trypsin-modified Elongation Factor Tu in complex with tetracycline
Method X-ray diffraction Resolution 2.12 Å Mutation Yes [1]
PDB Sequence
> Chain A
TKPHVNVGTI
17
GHVDHGKTTL
27
TAAITTVLAK
37
TYG
> Chain B
GITINTSHVE
68
YDTPTRHYAH
78
VDPGHADYVK
89
NMITGAAQMD
99
GAILVVAATD
109

GPMPQTREHI
119
LLGRQVGVPY
129
IIVFLNKCDM
139
VDDEELLELV
149
EMEVRELLSQ
159

YDFPGDDTPI
169
VRGSALKALE
179
GDAEWEAKIL
189
ELAGFLDSYI
199
PEPERAIDKP
209

FLLPIEDVFS
219
ISGRGTVVTG
229
RVERGIIKVG
239
EEVEIVGIKE
249
TQKSTCTGVE
259

MFRKLLDEGR
269
AGENVGVLLR
279
GIKREEIERG
289
QVLAKPGTIK
299
PHTKFESEVY
309

ILSKDEGGRH
319
TPFFKGYRPQ
329
FYFRTTDVTG
339
TIELPEGVEM
349
VMPGDNIKMV
359

VTLIHPIAMD
369
DGLRFAIREG
379
GRTVGAGVVA
389
KVLG
Residue [Chain]
Distance (Å)
ASP21[A]
4.900
THR25[A]
2.692
ASN63[B]
4.736
THR64[B]
3.451
Residue [Chain]
Distance (Å)
SER65[B]
3.394
ASP80[B]
3.198
PRO82[B]
3.113
PDB ID: 2HDN      Trypsin-modified Elongation Factor Tu in complex with tetracycline at 2.8 Angstrom resolution
Method X-ray diffraction Resolution 2.80 Å Mutation Yes [1]
PDB Sequence
> Chain A
TKPHVNVGTI
17
GHVDHGKTTL
27
TAAITTVLAK
37
TYG
> Chain B
GITINTSHVE
68
YDTPTRHYAH
78
VDCPGHADYV
88
KNMITGAAQM
98
DGAILVVAAT
108

DGPMPQTREH
118
ILLGRQVGVP
128
YIIVFLNKCD
138
MVDDEELLEL
148
VEMEVRELLS
158

QYDFPGDDTP
168
IVRGSALKAL
178
EGDAEWEAKI
188
LELAGFLDSY
198
IPEPERAIDK
208

PFLLPIEDVF
218
SISGRGTVVT
228
GRVERGIIKV
238
GEEVEIVGIK
248
ETQKSTCTGV
258

EMFRKLLDEG
268
RAGENVGVLL
278
RGIKREEIER
288
GQVLAKPGTI
298
KPHTKFESEV
308

YILSKDEGGR
318
HTPFFKGYRP
328
QFYFRTTDVT
338
GTIELPEGVE
348
MVMPGDNIKM
358

VVTLIHPIAM
368
DDGLRFAIRE
378
GGRTVGAGVV
388
AKVLG
Residue [Chain]
Distance (Å)
ASP21[A]
4.746
THR25[A]
2.619
ASN63[B]
4.593
THR64[B]
3.453
Residue [Chain]
Distance (Å)
SER65[B]
3.044
ASP80[B]
2.782
CYS81[B]
2.928
PRO82[B]
3.118
References  Top
REF 1 Molecular complementarity between tetracycline and the GTPase active site of elongation factor Tu. Acta Crystallogr D Biol Crystallogr. 2006 Nov;62(Pt 11):1392-400.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.