Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99909 | Target Info | |||
| Target Name | Mortalin (HSPA9) | ||||
| Synonyms | mt-HSP70; Stress-70 protein, mitochondrial; Peptide-binding protein 74; PBP74; MOT; Heat shock 70 kDa protein 9; HSPA9B; GRP75; GRP-75; 75 kDa glucose-regulated protein | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HSPA9 | ||||
| Biochemical Class | Heat shock protein | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine monophosphate | Ligand Info | |||||
| Structure Description | Structure of Mortalin-NBD with adenosine-5'-monophosphate and thiodiphosphate | PDB:6PMT | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
AVVGIDLGTT
63 NSCVAVMEGK73 QAKVLENAEG83 ARTTPSVVAF93 TADGERLVGM103 PAKRQAVTNP 113 NNTFYATKRL123 IGRRYDDPEV133 QKDIKNVPFK143 IVRASNGDAW153 VEAHGKLYSP 163 SQIGAFVLMK173 MKETAENYLG183 HTAKNAVITV193 PAYFNDSQRQ203 ATKDAGQISG 213 LNVLRVINEP223 TAAALAYGLD233 KSEDKVIAVY243 DLGGGTFDIS253 ILEIQKGVFE 263 VKSTNGDTFL273 GGEDFDQALL283 RHIVKEFKRE293 TGVDLTKDNM303 ALQRVREAAE 313 KAKCELSSSV323 QTDINLPYLT333 MDSSGPKHLN343 MKLTRAQFEG353 IVTDLIRRTI 363 APCQKAMQDA373 EVSKSDIGEV383 ILVGGMTRMP393 KVQQTVQDLF403 GRAPSKAVNP 413 DEAVAIGAAI423 QGGVLA
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| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Mortalin nucleotide binding domain in the ADP-bound state | PDB:6NHK | ||||
| Method | X-ray diffraction | Resolution | 2.78 Å | Mutation | No | [2] |
| PDB Sequence |
AVVGIDLGTT
63 NSCVAVMEGK73 QAKVLENAEG83 ARTTPSVVAF93 TADGERLVGM103 PAKRQAVTNP 113 NNTFYATKRL123 IGRRYDDPEV133 QKDIKNVPFK143 IVRASNGDAW153 VEAHGKLYSP 163 SQIGAFVLMK173 MKETAENYLG183 HTAKNAVITV193 PAYFNDSQRQ203 ATKDAGQISG 213 LNVLRVINEP223 TAAALAYGLD233 KSEDKVIAVY243 DLGGGTFDIS253 ILEIQKGVFE 263 VKSTNGDTFL273 GGEDFDQALL283 RHIVKEFKRE293 TGVDLTKDNM303 ALQRVREAAE 313 KAKCELSSSV323 QTDINLPYLT333 MDSSGPKHLN343 MKLTRAQFEG353 IVTDLIRRTI 363 APCQKAMQDA373 EVSKSDIGEV383 ILVGGMTRMP393 KVQQTVQDLF403 GRAPSKAVNP 413 DEAVAIGAAI423 QGGVLA
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ASP59
3.920
GLY61
3.714
THR62
4.475
THR63
3.461
ASN64
2.550
SER65
4.880
GLY246
3.777
GLY247
3.266
GLY248
4.438
THR249
4.812
GLY275
3.945
GLU276
4.465
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| Ligand Name: 9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine | Ligand Info | |||||
| Structure Description | Structure of Mortalin-NBD with N6-propargyladenosine-5'-diphosphate | PDB:6P2U | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
KGAVVGIDLG
61 TTNSCVAVME71 GKQAKVLENA81 EGARTTPSVV91 AFTADGERLV101 GMPAKRQAVT 111 NPNNTFYATK121 RLIGRRYDDP131 EVQKDIKNVP141 FKIVRASNGD151 AWVEAHGKLY 161 SPSQIGAFVL171 MKMKETAENY181 LGHTAKNAVI191 TVPAYFNDSQ201 RQATKDAGQI 211 SGLNVLRVIN221 EPTAAALAYG231 LDKSEDKVIA241 VYDLGGGTFD251 ISILEIQKGV 261 FEVKSTNGDT271 FLGGEDFDQA281 LLRHIVKEFK291 RETGVDLTKD301 NMALQRVREA 311 AEKAKCELSS321 SVQTDINLPY331 LTMDSGPKHL342 NMKLTRAQFE352 GIVTDLIRRT 362 IAPCQKAMQD372 AEVSKSDIGE382 VILVGGMTRM392 PKVQQTVQDL402 FGRAPSKAVN 412 PDEAVAIGAA422 IQGGVLAGD
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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 .NO7 or .NO72 or .NO73 or :3NO7;style chemicals stick;color identity;select .A:61 or .A:62 or .A:63 or .A:64 or .A:245 or .A:246 or .A:247 or .A:248 or .A:249 or .A:275 or .A:276 or .A:279 or .A:313 or .A:316 or .A:317 or .A:320 or .A:321 or .A:387 or .A:388 or .A:389 or .A:391 or .A:392 or .A:414; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY61
3.563
THR62
3.327
THR63
2.760
ASN64
2.602
LEU245
4.620
GLY246
3.444
GLY247
2.716
GLY248
3.529
THR249
4.548
GLY275
3.198
GLU276
3.866
ASP279
4.314
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| Ligand Name: Thiopyrophosphate | Ligand Info | |||||
| Structure Description | Structure of Mortalin-NBD with adenosine-5'-monophosphate and thiodiphosphate | PDB:6PMT | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
AVVGIDLGTT
63 NSCVAVMEGK73 QAKVLENAEG83 ARTTPSVVAF93 TADGERLVGM103 PAKRQAVTNP 113 NNTFYATKRL123 IGRRYDDPEV133 QKDIKNVPFK143 IVRASNGDAW153 VEAHGKLYSP 163 SQIGAFVLMK173 MKETAENYLG183 HTAKNAVITV193 PAYFNDSQRQ203 ATKDAGQISG 213 LNVLRVINEP223 TAAALAYGLD233 KSEDKVIAVY243 DLGGGTFDIS253 ILEIQKGVFE 263 VKSTNGDTFL273 GGEDFDQALL283 RHIVKEFKRE293 TGVDLTKDNM303 ALQRVREAAE 313 KAKCELSSSV323 QTDINLPYLT333 MDSSGPKHLN343 MKLTRAQFEG353 IVTDLIRRTI 363 APCQKAMQDA373 EVSKSDIGEV383 ILVGGMTRMP393 KVQQTVQDLF403 GRAPSKAVNP 413 DEAVAIGAAI423 QGGVLA
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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 .PIS or .PIS2 or .PIS3 or :3PIS;style chemicals stick;color identity;select .A:59 or .A:60 or .A:61 or .A:62 or .A:63 or .A:121 or .A:194 or .A:222 or .A:244 or .A:246 or .A:249 or .A:251 or .A:386 or .A:387 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the mortalin nucleotide binding domain in complex with adenosine monophosphate | ||||
| REF 2 | Biophysical Consequences of EVEN-PLUS Syndrome Mutations for the Function of Mortalin. J Phys Chem B. 2019 Apr 25;123(16):3383-3396. | ||||
| REF 3 | 2- and N6-functionalized adenosine-5'-diphosphate analogs for the inhibition of mortalin. FEBS Lett. 2019 Aug;593(15):2030-2039. | ||||
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