Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46245 | Target Info | |||
| Target Name | Glutaminyl cyclase (QPCT) | ||||
| Synonyms | sQC; QPCT; QC; Glutamyl cyclase; GlutaminyltRNA cyclotransferase; Glutaminylpeptide cyclotransferase; EC | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | QPCT | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | PBD150 | Ligand Info | |||
| Canonical SMILES | COC1=C(C=C(C=C1)NC(=S)NCCCN2C=CN=C2)OC | ||||
| InChI | 1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22) | ||||
| InChIKey | FZQXMGLQANXZRP-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 6539196 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4YWY Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase in complex with inhibitor PBD-150 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [1] |
| PDB Sequence |
AWPEEKNYHQ
44 PAILNSSALR54 QIAEGTSISE64 MWQNDLQPLL74 IERYPGSPGS84 YAARQHIMQR 94 IQRLQADWVL104 EIDTFLSQTP114 EGERSFSNII124 STLNPTAKRH134 LVLACHYDSK 144 YFSHWNNRVF154 VGATDSAVPC164 AMMLELARAL174 DKKLLSLKTV184 SDSPDLSLQL 195 IFFDGEEAFL205 HWSPQDSLYG215 SRHLAAKMAS225 TPHPPGARGT235 SQLHGMDLLV 245 LLDLIGAPNP255 TFPNFFPNSA265 RWFERLQAIE275 HELHELGLLK285 DHSLEGRYFQ 295 NYSYGGVIQD305 DHIPFLRRGV315 PVLHLIPSPF325 PEVWHTMDDN335 EENLDESTID 345 NLNKILQVFV355 LEYLHL
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| PDB ID: 3PBB Crystal structure of human secretory glutaminyl cyclase in complex with PBD150 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [2] |
| PDB Sequence |
ASAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 PDLSLQLIFF 198 DGEEAFLHWS208 PQDSLYGSRH218 LAAKMASTPH228 PPGARGTSQL238 HGMDLLVLLD 248 LIGAPNPTFP258 NFFPNSARWF268 ERLQAIEHEL278 HELGLLKDHS288 LEGRYFQNYS 298 YGGVIQDDHI308 PFLRRGVPVL318 HLIPSPFPEV328 WHTMDDNEEN338 LDESTIDNLN 348 KILQVFVLEY358 LHL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease. Acta Crystallogr F Struct Biol Commun. 2015 Aug;71(Pt 8):986-92. | ||||
| REF 2 | Structures of human Golgi-resident glutaminyl cyclase and its complexes with inhibitors reveal a large loop movement upon inhibitor binding. J Biol Chem. 2011 Apr 8;286(14):12439-49. | ||||
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