Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T50594 | Target Info | |||
| Target Name | Serine/threonine-protein kinase pim-1 (PIM1) | ||||
| Synonyms | Pim-1 proto-oncogene, serine/threonine kinase; PIM | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PIM1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||
| Canonical SMILES | C(CSSCC(C(=O)O)N)O | ||||
| InChI | 1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | ||||
| InChIKey | YPUBRSXDQSFQBA-BYPYZUCNSA-N | ||||
| PubChem Compound ID | 170018 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5O11 Crystal structure of PIM1 kinase in complex with small-molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGSVYSG55 IRVSDNLPVA65 IKHVEKDRIS75 DWGELPNGTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIRGQVFFR256 QRVSECQHLI267 RWCLALRPSD277 RPTFEEIQNH287 PWMQDVLLPQ 297 ETAEIHLH
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| PDB ID: 5O12 Crystal structure of PIM1 kinase in complex with small-molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
LESQYQVGPL
43 LGSSVYSGIR57 VSDNLPVAIK67 HVEKDRISDW77 GELPTRVPME89 VVLLKKVSSG 99 FSGVIRLLDW109 FERPDSFVLI119 LERPEPVQDL129 FDFITERGAL139 QEELARSFFW 149 QVLEAVRHCH159 NGVLHRDIKD170 ENILIDLNRG180 ELKLIDFGSG190 ALLKDTVYTD 200 FDGTRVYSPP210 EWIRYHRYHG220 RSAAVWSLGI230 LLYDMVCGDI240 PFEHDEEIIR 250 GQVFFRQRVS260 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ291 DVLLPQETAE 301 IHLH
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| PDB ID: 1YHS Crystal structure of Pim-1 bound to staurosporine | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [2] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGETRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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| PDB ID: 1YI4 Structure of Pim-1 bound to adenosine | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [2] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGETRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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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 .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:95 or .A:96 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YI3 Crystal Structure of Pim-1 bound to LY294002 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGETRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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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 .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:95 or .A:96 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors. Sci Rep. 2017 Oct 17;7(1):13399. | ||||
| REF 2 | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J Biol Chem. 2005 Apr 8;280(14):13728-34. | ||||
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