Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T65864 | Target Info | |||
| Target Name | Stress-activated protein kinase 2a (p38 alpha) | ||||
| Synonyms | SAPK2A; P38 mitogen activatedprotein kinase; P38 Mitogen-activatedprotein kinase alpha; Mitogen-activated protein kinase p38 alpha; Mitogen-activated protein kinase 14; MXI2; MAX-interacting protein 2; MAPK 14; MAP kinase p38alpha; MAP kinase p38 alpha; MAP kinase MXI2; MAP kinase 14; Cytokine suppressive anti-inflammatory drug-binding protein; Cytokine suppressive anti-inflammatory drug binding protein; CSPB1; CSBP2; CSBP1; CSBP; CSAID-binding protein; CSAID binding protein; CRK1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MAPK14 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6ZQS Crystal structure of double-phosphorylated p38alpha with ATF2(83-102) | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [1] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKCQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE 163 LKILDFGLAR173 HTDDEMGVAT185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE 215 LLTGRTLFPG225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM 265 PKMNFANVFI275 GANPLAVDLL285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD 315 DEPVADPYDQ325 SFESRDLLID335 EWKSLTYDEV345 ISFVPPPL
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| PDB ID: 6TCA Phosphorylated p38 and MAPKAPK2 complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 3.70 Å | Mutation | No | [2] |
| PDB Sequence |
PTFYRQELNK
15 TIWEVPERYQ25 NLSPVGSGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 FGLARHTDDE178 MGVATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR 220 TLFPGTDHID230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF 270 ANVFIGANPL280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA 320 DPYDQSFESR330 DLLIDEWKSL340 TYDEVISFVP350 PPLD
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| PDB ID: 3NNX Crystal structure of phosphorylated P38 alpha in complex with DP802 | ||||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [3] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 FGLARHVATR186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT 226 DHIDQLKLIL236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLTQMP266 KMNFANVFIG 276 ANPLAVDLLE286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS 326 FESRDLLIDE336 WKSLTYDEVI346 SFVPPP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38. Nat Commun. 2020 Nov 13;11(1):5769. | ||||
| REF 2 | MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases. Structure. 2020 Oct 6;28(10):1101-1113.e5. | ||||
| REF 3 | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5793-8. | ||||
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