Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T41820 | Target Info | |||
| Target Name | Fungal Isoleucyl t-RNA synthetase (Fung ILS1) | ||||
| Synonyms | Fung Isoleucyl-tRNA synthetase; Fung Isoleucine--tRNA ligase, cytoplasmic; Fung IleRS | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | Fung ILS1 | ||||
| Biochemical Class | Carbon-oxygen ligase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Reveromycin A | Ligand Info | |||||
| Structure Description | IleRS in complex with a tRNA site inhibitor | PDB:7D5C | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
FSFPKEEEKV
17 LSLWDEIDAF27 HTSLELTKDK37 PEFSFFDGPP47 FATGTPHYGH57 ILASTIKDIV 67 PRYATMTGHH77 VERRFGWDTH87 GVPIEHIIDK97 KLGITGKDDV107 FKYGLENYNN 117 ECRSIVMTYA127 SDWRKTIGRL137 GRWIDFDNDY147 KTMYPSFMES157 TWWAFKQLHE 167 KGQVYRGFKV177 MPYSTGLTTP187 LSNFEAQQNY197 KDVNDPAVTI207 GFNVIGQEKT 217 QLVAWTTTPW227 TLPSNLSLCV237 NADFEYVKIY247 DETRDRYFIL257 LESLIKTLYK 267 KPKNEKYKIV277 EKIKGSDLVG287 LKYEPLFPYF297 AEQFHETAFR307 VISDDYVTSD 317 SGTGIVHNAP327 AFGEEDNAAC337 LKNGVISEDS347 VLPNAIDDLG357 RFTKDVPDFE 367 GVYVKDADKL377 IIKYLTNTGN387 LLLASQIRHS397 YPFCWRSDTP407 LLYRSVPAWF 417 VRVKNIVPQM427 LDSVMKSHWV437 PNTIKEKRFA447 NWIANARDWN457 VSRNRYWGTP 467 IPLWVSDDFE477 EVVCVGSIKE487 LEELTGVRNI497 TDLHRDVIDK507 LTIPSKQGKG 517 DLKRIEEVFD527 CWFESGSMPY537 ASQHYPFENT547 EKFDERVPAN557 FISEGLDQTR 567 GWFYTLAVLG577 THLFGSVPYK587 NVIVSGIVLA597 ADGRKMSKSL607 KNYPDPSIVL 617 NKYGADALRL627 YLINSPVLKA637 ESLKFKEEGV647 KEVVSKVLLP657 WWNSFKFLDG 667 QIALLKKMSN677 IDFQYDDSVK687 SDNVMDRWIL697 ASMQSLVQFI707 HEEMGQYKLY 717 TVVPKLLNFI727 DELTNWYIRF737 NRRRLKGENG747 VEDCLKALNS757 LFDALFTFVR 767 AMAPFTPFLS777 ESIYLRLKEY787 IPEAVLAKYG797 KDGRSVHFLS807 YPVVKKEYFD 817 EAIETAVSRM827 QSVIDLGRNI837 REKKTISLKT847 PLKTLVILHS857 DESYLKDVEA 867 LKNYIIEELN877 VRDVVITSDE887 AKYGVEYRGL953 PESAVQAGQE963 TRTDQDVLII 973 MDTNIYSEL
|
|||||
|
|
PHE48
3.768
HIS54
4.195
GLY88
3.345
VAL89
2.877
PRO90
3.846
HIS93
4.734
PHE191
3.626
TRP402
3.900
TRP449
4.057
ARG454
3.046
ASP455
4.014
TRP456
3.907
ASN457
4.782
ARG460
3.277
|
|||||
| Ligand Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S,3S)-2-azanyl-3-methyl-pentanoate | Ligand Info | |||||
| Structure Description | IleRS in complex with a tRNA site inhibitor | PDB:7D5C | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
FSFPKEEEKV
17 LSLWDEIDAF27 HTSLELTKDK37 PEFSFFDGPP47 FATGTPHYGH57 ILASTIKDIV 67 PRYATMTGHH77 VERRFGWDTH87 GVPIEHIIDK97 KLGITGKDDV107 FKYGLENYNN 117 ECRSIVMTYA127 SDWRKTIGRL137 GRWIDFDNDY147 KTMYPSFMES157 TWWAFKQLHE 167 KGQVYRGFKV177 MPYSTGLTTP187 LSNFEAQQNY197 KDVNDPAVTI207 GFNVIGQEKT 217 QLVAWTTTPW227 TLPSNLSLCV237 NADFEYVKIY247 DETRDRYFIL257 LESLIKTLYK 267 KPKNEKYKIV277 EKIKGSDLVG287 LKYEPLFPYF297 AEQFHETAFR307 VISDDYVTSD 317 SGTGIVHNAP327 AFGEEDNAAC337 LKNGVISEDS347 VLPNAIDDLG357 RFTKDVPDFE 367 GVYVKDADKL377 IIKYLTNTGN387 LLLASQIRHS397 YPFCWRSDTP407 LLYRSVPAWF 417 VRVKNIVPQM427 LDSVMKSHWV437 PNTIKEKRFA447 NWIANARDWN457 VSRNRYWGTP 467 IPLWVSDDFE477 EVVCVGSIKE487 LEELTGVRNI497 TDLHRDVIDK507 LTIPSKQGKG 517 DLKRIEEVFD527 CWFESGSMPY537 ASQHYPFENT547 EKFDERVPAN557 FISEGLDQTR 567 GWFYTLAVLG577 THLFGSVPYK587 NVIVSGIVLA597 ADGRKMSKSL607 KNYPDPSIVL 617 NKYGADALRL627 YLINSPVLKA637 ESLKFKEEGV647 KEVVSKVLLP657 WWNSFKFLDG 667 QIALLKKMSN677 IDFQYDDSVK687 SDNVMDRWIL697 ASMQSLVQFI707 HEEMGQYKLY 717 TVVPKLLNFI727 DELTNWYIRF737 NRRRLKGENG747 VEDCLKALNS757 LFDALFTFVR 767 AMAPFTPFLS777 ESIYLRLKEY787 IPEAVLAKYG797 KDGRSVHFLS807 YPVVKKEYFD 817 EAIETAVSRM827 QSVIDLGRNI837 REKKTISLKT847 PLKTLVILHS857 DESYLKDVEA 867 LKNYIIEELN877 VRDVVITSDE887 AKYGVEYRGL953 PESAVQAGQE963 TRTDQDVLII 973 MDTNIYSEL
|
|||||
|
|
GLY45
3.843
PRO46
2.676
PRO47
3.387
PHE48
3.110
HIS54
3.502
GLY56
3.480
HIS57
3.662
LEU59
4.523
ALA60
4.171
ASP85
2.597
TRP130
4.828
TRP529
3.775
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase. Nat Commun. 2021 Mar 12;12(1):1616. | ||||
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