Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T62450 | Target Info | |||
| Target Name | Candida Peptide N-myristoyltransferase (Candi NMT1) | ||||
| Synonyms | Peptide N-myristoyltransferase; NMT1; NMT; Myristoyl-CoA:protein N-myristoyltransferase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Candi NMT1 | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Myristoyl-Coa | Ligand Info | |||||
| Structure Description | Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor | PDB:1IYK | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
EGPIDKLKTP
69 EDVPNDPLPL79 ISDFEWSTLD89 IDDNLQLDEL99 YKLLYDNYVE109 DIDATFRFKY 119 SHEFFQWALK129 PPGWRKDWHV139 GVRVKSTGKL149 VAFIAATPVT159 FKLNKSNKVI 169 DSVEINFLCI179 HKKLRNKRLA189 PVLIKEITRR199 VNKQNIWQAL209 YTGGSILPTP 219 LTTCRYQHRP229 INWSKLHDVG239 FSHLPPNQTK249 SSMVASYTLP259 NNPKLKGLRP 269 MTGKDVSTVL279 SLLYKYQERF289 DIVQLFTEEE299 FKHWMLGHDE309 NSDSNVVKSY 319 VVEDENGIIT329 DYFSYYLLPF339 TVLDNAQHDE349 LGIAYLFYYA359 SDSFEKPNYK 369 KRLNELITDA379 LITSKKFGVD389 VFNCLTCQDN399 TYFLKDCKFG409 SGDGFLNYYL 419 FNYRTFPMDG429 GIDKKTKEVV439 EDQTSGIGVV449 LL
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ASN106
3.795
TYR107
3.671
VAL108
3.576
ILE153
4.917
VAL172
4.445
ILE174
3.784
ASN175
3.786
PHE176
3.500
LEU177
2.735
CYS178
3.527
ILE179
3.037
LEU183
4.358
ARG184
3.023
ASN185
2.802
LYS186
3.536
ARG187
2.817
LEU188
2.973
ALA189
2.934
|
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| Ligand Name: SC-58272 | Ligand Info | |||||
| Structure Description | Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor | PDB:1IYK | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
EGPIDKLKTP
69 EDVPNDPLPL79 ISDFEWSTLD89 IDDNLQLDEL99 YKLLYDNYVE109 DIDATFRFKY 119 SHEFFQWALK129 PPGWRKDWHV139 GVRVKSTGKL149 VAFIAATPVT159 FKLNKSNKVI 169 DSVEINFLCI179 HKKLRNKRLA189 PVLIKEITRR199 VNKQNIWQAL209 YTGGSILPTP 219 LTTCRYQHRP229 INWSKLHDVG239 FSHLPPNQTK249 SSMVASYTLP259 NNPKLKGLRP 269 MTGKDVSTVL279 SLLYKYQERF289 DIVQLFTEEE299 FKHWMLGHDE309 NSDSNVVKSY 319 VVEDENGIIT329 DYFSYYLLPF339 TVLDNAQHDE349 LGIAYLFYYA359 SDSFEKPNYK 369 KRLNELITDA379 LITSKKFGVD389 VFNCLTCQDN399 TYFLKDCKFG409 SGDGFLNYYL 419 FNYRTFPMDG429 GIDKKTKEVV439 EDQTSGIGVV449 LL
|
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TYR107
4.651
VAL108
3.378
GLU109
3.582
ASP110
2.626
ILE111
4.437
ASP112
3.232
THR114
4.483
PHE115
4.002
PHE117
3.486
TYR119
3.698
ASN175
3.320
THR211
3.089
GLY212
4.174
GLY213
4.185
TYR225
3.450
|
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| Ligand Name: (1-Methyl-1H-imidazol-2-YL)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-YL)-methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of Candida albicans N-myristoyltransferase with Non-peptidic Inhibitor | PDB:1IYL | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [1] |
| PDB Sequence |
TPEDVPNDPL
77 PLISDFEWST87 LDIDDNLQLD97 ELYKLLYDNY107 VEDIDATFRF117 KYSHEFFQWA 127 LKPPGWRKDW137 HVGVRVKSTG147 KLVAFIAATP157 VTFKLNKSNK167 VIDSVEINFL 177 CIHKKLRNKR187 LAPVLIKEIT197 RRVNKQNIWQ207 ALYTGGSILP217 TPLTTCRYQH 227 RPINWSKLHD237 VGFSHLPPNQ247 TKSSMVASYT257 LPNNPKLKGL267 RPMTGKDVST 277 VLSLLYKYQE287 RFDIVQLFTE297 EEFKHWMLGH307 DENSDSNVVK317 SYVVEDENGI 327 ITDYFSYYLL337 PFTVLDNAQH347 DELGIAYLFY357 YASDSFEKPN367 YKKRLNELIT 377 DALITSKKFG387 VDVFNCLTCQ397 DNTYFLKDCK407 FGSGDGFLNY417 YLFNYRTFPM 427 DGGIDKKTKE437 VVEDQTSGIG447 VVLL
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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 .R64 or .R642 or .R643 or :3R64;style chemicals stick;color identity;select .A:107 or .A:109 or .A:110 or .A:115 or .A:117 or .A:119 or .A:123 or .A:176 or .A:225 or .A:226 or .A:227 or .A:240 or .A:335 or .A:337 or .A:339 or .A:350 or .A:352 or .A:354 or .A:390 or .A:392 or .A:393 or .A:394 or .A:415 or .A:450 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR107
3.304
GLU109
4.761
ASP110
3.277
PHE115
4.346
PHE117
4.159
TYR119
3.450
PHE123
4.207
PHE176
3.227
TYR225
3.445
GLN226
4.110
HIS227
3.176
PHE240
3.083
TYR335
3.816
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of Candida albicans N-myristoyltransferase with two distinct inhibitors. Chem Biol. 2002 Oct;9(10):1119-28. | ||||
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