Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12646 | Target Info | |||
| Target Name | Valosin-containing protein p97 (VCP) | ||||
| Synonyms | Valosin-containing protein; Transitional endoplasmic reticulum ATPase; TER ATPase; 15S Mg(2+)-ATPase p97 subunit | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | VCP | ||||
| Biochemical Class | Acid anhydride hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5957 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7LMY Cryo-EM structure of human p97 in complex with NMS-873 in the presence of ATP, Npl4/Ufd1, and Ub6 | ||||||
| Method | Electron microscopy | Resolution | 2.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
LSTAILKQKN
21 RPNRLIVDEA31 INEDNSVVSL41 SQPKMDELQL51 FRGDTVLLKG61 KKRREAVCIV 71 LSDDTCSDEK81 IRMNRVVRNN91 LRVRLGDVIS101 IQPCPDVKYG111 KRIHVLPIDD 121 TVEGITGNLF131 EVYLKPYFLE141 AYRPIRKGDI151 FLVRGGMRAV161 EFKVVETDPS 171 PYCIVAPDTV181 IHCEGEPIKR191 EDEEESLNEV201 GYDDIGGCRK211 QLAQIKEMVE 221 LPLRHPALFK231 EIGVKPPRGI241 LLYGPPGTGK251 TLIARAVANE261 TGAFFFLING 271 PEIMSKLAGE281 SESNLRKAFE291 EAEKNAPAII301 FIDELDAIAP311 KREKTHGEVE 321 RRIVSQLLTL331 MDGLKQRAHV341 IVMAATNRPN351 SIDPALRRFG361 RFDREVDIGI 371 PDATGRLEIL381 QIHTKNMKLA391 DDVDLEQVAN401 ETHGHVGADL411 AALCSEAALQ 421 AIRKKMDLID431 LEDETIDAEV441 MNSLAVTMDD451 FRWALSQSNP461 SALRETVVEV 471 PQVTWEDIGG481 LEDVKRELQE491 LVQYPVEHPD501 KFLKFGMTPS511 KGVLFYGPPG 521 CGKTLLAKAI531 ANECQANFIS541 IKGPELLTMW551 FGESEANVRE561 IFDKARQAAP 571 CVLFFDQLDS581 IAKARGGNIG591 DGGGAADRVI601 NQILTEMDGM611 STKKNVFIIG 621 ATNRPDIIDP631 AILRPGRLDQ641 LIYIPLPDEK651 SRVAILKANL661 RKSPVAKDVD 671 LEFLAKMTNG681 FSGADLTEIC691 QRACKLAIRE701 SIESEIRRER711 ERQPVPEIRR 733 DHFEEAMRFA743 RRSVSDNDIR753 KYEMFAQTLS770 FRFPS
|
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|
|
ASP205
3.154
ILE206
3.624
GLY207
2.714
GLY208
4.960
CYS209
4.110
PRO246
4.076
PRO247
3.405
GLY248
3.025
THR249
2.969
GLY250
3.174
LYS251
2.836
THR252
2.657
LEU253
3.112
GLU305
4.661
ASN348
3.594
ILE380
3.587
ILE383
4.650
HIS384
4.731
GLY408
3.484
ALA409
3.304
ALA412
4.374
|
|||||
| PDB ID: 7OAT Structural basis for targeted p97 remodelling by ASPL as prerequisite for p97 trimethylation by METTL21D | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [2] |
| PDB Sequence |
PNRLIVDEAI
32 NEDNSVVSLS42 QPKMDELQLF52 RGDTVLLKGK62 KRREAVCIVL72 SDDTCSDEKI 82 RMNRVVRNNL92 RVRLGDVISI102 QPCPDVKYGK112 RIHVLPIDDT122 VEGITGNLFE 132 VYLKPYFLEA142 YRPIRKGDIF152 LVRGGMRAVE162 FKVVETDPSP172 YCIVAPDTVI 182 HCEGEPIKRE192 DEEESLNEVG202 YDDIGGCRKQ212 LAQIKEMVEL222 PLRHPALFKA 232 IGVKPPRGIL242 LYGPPGTGKT252 LIARAVANET262 GAFFFLINGP272 EIMSKLAGES 282 ESNLRKAFEE292 AEKNAPAIIF302 IDELDAIAPK312 RETHGEVERR323 IVSQLLTLMD 333 GLKQRAHVIV343 MAATNRPNSI353 DPALRRFGRF363 DREVDIGIPD373 ATGRLEILQI 383 HTKNMKLADD393 VDLEQVANET403 HGHVGADLAA413 LCSEAALQAI423 RKKMDDETID 438 AEVMNSLAVT448 MDDFRWALSQ458 SNP
|
|||||
|
|
ASP205
3.363
ILE206
3.770
GLY207
2.799
GLY208
4.971
CYS209
4.135
PRO246
4.018
PRO247
3.839
GLY248
2.835
THR249
3.023
GLY250
3.094
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat Struct Mol Biol. 2021 Jul;28(7):614-625. | ||||
| REF 2 | Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D. Proc Natl Acad Sci U S A. 2023 Jan 24;120(4):e2208941120. | ||||
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