Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T56871 | Target Info | |||
| Target Name | Lysine-specific demethylase 5B (KDM5B) | ||||
| Synonyms | Retinoblastomabinding protein 2 homolog 1; Retinoblastoma-binding protein 2 homolog 1; RBP2H1; RBP2-H1; RBBP2H1; PLU1; PLU-1; Lysinespecific demethylase 5B; Jumonji/ARID domaincontaining protein 1B; Jumonji/ARID domain-containing protein 1B; JARID1B; Histone demethylase JARID1B; Cancer/testis antigen 31; CT31 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | KDM5B | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-(carboxymethylamino)-2-oxoacetic acid | Ligand Info | |||
| Canonical SMILES | C(C(=O)O)NC(=O)C(=O)O | ||||
| InChI | 1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10) | ||||
| InChIKey | BIMZLRFONYSTPT-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3080614 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5FV3 Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | ||||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [1] |
| PDB Sequence |
SMFLPPPECP
33 VFEPSWEEFA43 DPFAFIHKIR53 PIAEQTGICK63 VRPPPDWQPP73 FACDVDKLHF 83 TPRIQRLNEL93 EAQTRVKLRD376 YTLRTFGEMA386 DAFKSDYFNM396 PVHMVPTELV 406 EKEFWRLVST416 IEEDVTVEYG426 ADIASKEFGS436 GFPVRDIKLS448 PEEEEYLDSG 458 WNLNNMPVME468 QSVLAHITAD478 ICGMKLPWLY488 VGMCFSSFCW498 HIEDHWSYSI 508 NYLHWGEPKT518 WYGVPGYAAE528 QLENVMKKLA538 PELFVSQPDL548 LHQLVTIMNP 558 NTLMTHEVPV568 YRTNQCAGEF578 VITFPRAYHS588 GFNQGFNFAE598 AVNFCTVDWL 608 PLGRQCVEHY618 RLLHRYCVFS628 HDEMICKMAS638 KADVLDVVVA648 STVQKDMAIM 658 IEDEKALRET668 VRKLGVIDSE678 RMDFELLPDD688 ERQCVKCKTT698 CFMSAISCSC 708 KPGLLVCLHH718 VKELCSCPPY728 KYKLRYRYTL738 DDLYPMMNAL748 KLRAE |
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| PDB ID: 5A1F Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine. | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
SMFLPPPECP
33 VFEPSWEEFA43 DPFAFIHKIR53 PIAEQTGICK63 VRPPPDWQPP73 FACDVDKLHF 83 TPRIQRLNEL93 EAQTRVRDYT378 LRTFGEMADA388 FKSDYFNMPV398 HMVPTELVEK 408 EFWRLVSTIE418 EDVTVEYGAD428 IASKEFGSGF438 PVRDSPEEEE453 YLDSGWNLNN 463 MPVMEQSVLA473 HITADICGMK483 LPWLYVGMCF493 SSFCWHIEDH503 WSYSINYLHW 513 GEPKTWYGVP523 GYAAEQLENV533 MKKLAPELFV543 SQPDLLHQLV553 TIMNPNTLMT 563 HEVPVYRTNQ573 CAGEFVITFP583 RAYHSGFNQG593 FNFAEAVNFC603 TVDWLPLGRQ 613 CVEHYRLLHR623 YCVFSHDEMI633 CKMASKADVL643 DVVVASTVQK653 DMAIMIEDEK 663 ALRETVRKLG673 VIDSERMDFE683 LLPDDERQCV693 KCKTTCFMSA703 ISCSCKPGLL 713 VCLHHVKELC723 SCPPYKYKLR733 YRYTLDDLYP743 MMNALKLRAE753 |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural analysis of human KDM5B guides histone demethylase inhibitor development. Nat Chem Biol. 2016 Jul;12(7):539-45. | ||||
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