eF-site ID 5fzb-A PDB Code 5fzb Chain A click to enlarge Title Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) Classification OXIDOREDUCTASE Compound LYSINE-SPECIFIC DEMETHYLASE 5B Source null (KDM5B_HUMAN) Sequence A:  SMFLPPPECPVFEPSWEEFADPFAFIHKIRPIAEQTGICK VRPPPDWQPPFACDVDKLHFTPRIQRLNELEAQTRLKRDY TLRTFGEMADAFKSDYFNMPVHMVPTELVEKEFWRLVSTI EEDVTVEYGADIASKEFGSGFPVRDIKLSPEEEEYLDSGW NLNNMPVMEQSVLAHITADICGMKLPWLYVGMCFSSFCWH IEDHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAP ELFVSQPDLLHQLVTIMNPNTLMTHEVPVYRTNQCAGEFV ITFPRAYHSGFNQGFNFAEAVNFCTVDWLPLGRQCVEHYR LLHRYCVFSHDEMICKMASKADVLDVVVASTVQKDMAIMI EDEKALRETVRKLGVIDSERMDFELLPDDERQCVKCKTTC FMSAISCSCKPGLLVCLHHVKELCSCPPYKYKLRYRYTLD DLYPMMNALKLRAE Description Functional site 1) chain A residue 692 type sequence C description BINDING SITE FOR RESIDUE ZN A 1754 source : AC1 2) chain A residue 695 type sequence C description BINDING SITE FOR RESIDUE ZN A 1754 source : AC1 3) chain A residue 715 type sequence C description BINDING SITE FOR RESIDUE ZN A 1754 source : AC1 4) chain A residue 718 type sequence H description BINDING SITE FOR RESIDUE ZN A 1754 source : AC1 5) chain A residue 706 type sequence C description BINDING SITE FOR RESIDUE ZN A 1755 source : AC2 6) chain A residue 708 type sequence C description BINDING SITE FOR RESIDUE ZN A 1755 source : AC2 7) chain A residue 723 type sequence C description BINDING SITE FOR RESIDUE ZN A 1755 source : AC2 8) chain A residue 725 type sequence C description BINDING SITE FOR RESIDUE ZN A 1755 source : AC2 9) chain A residue 486 type sequence W description BINDING SITE FOR RESIDUE DMS A 1756 source : AC3 10) chain A residue 488 type sequence Y description BINDING SITE FOR RESIDUE DMS A 1756 source : AC3 11) chain A residue 600 type sequence V description BINDING SITE FOR RESIDUE DMS A 1756 source : AC3 12) chain A residue 601 type sequence N description BINDING SITE FOR RESIDUE DMS A 1756 source : AC3 13) chain A residue 97 type sequence T description BINDING SITE FOR RESIDUE DMS A 1757 source : AC4 14) chain A residue 495 type sequence S description BINDING SITE FOR RESIDUE DMS A 1757 source : AC4 15) chain A residue 497 type sequence C description BINDING SITE FOR RESIDUE DMS A 1757 source : AC4 16) chain A residue 499 type sequence H description BINDING SITE FOR RESIDUE MN A 1758 source : AC5 17) chain A residue 501 type sequence E description BINDING SITE FOR RESIDUE MN A 1758 source : AC5 18) chain A residue 587 type sequence H description BINDING SITE FOR RESIDUE MN A 1758 source : AC5 19) chain A residue 504 type sequence W description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 20) chain A residue 534 type sequence M description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 21) chain A residue 541 type sequence L description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 22) chain A residue 552 type sequence L description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 23) chain A residue 586 type sequence Y description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 24) chain A residue 617 type sequence H description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 25) chain A residue 618 type sequence Y description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 26) chain A residue 621 type sequence L description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 27) chain A residue 623 type sequence R description BINDING SITE FOR RESIDUE EPE A 1759 source : AC6 28) chain A residue 630 type sequence D description BINDING SITE FOR RESIDUE EDO A 1760 source : AC7 29) chain A residue 699 type sequence C description BINDING SITE FOR RESIDUE EDO A 1760 source : AC7 30) chain A residue 700 type sequence F description BINDING SITE FOR RESIDUE EDO A 1760 source : AC7 31) chain A residue 701 type sequence M description BINDING SITE FOR RESIDUE EDO A 1760 source : AC7 32) chain A residue 702 type sequence S description BINDING SITE FOR RESIDUE EDO A 1760 source : AC7 33) chain A residue 426 type sequence G description BINDING SITE FOR RESIDUE EDO A 1761 source : AC8 34) chain A residue 427 type sequence A description BINDING SITE FOR RESIDUE EDO A 1761 source : AC8 35) chain A residue 428 type sequence D description BINDING SITE FOR RESIDUE EDO A 1761 source : AC8 36) chain A residue 487 type sequence L description BINDING SITE FOR RESIDUE EDO A 1761 source : AC8 37) chain A residue 489 type sequence V description BINDING SITE FOR RESIDUE EDO A 1761 source : AC8 38) chain A residue 666 type sequence R description BINDING SITE FOR RESIDUE EDO A 1762 source : AC9 39) chain A residue 612 type sequence R description BINDING SITE FOR RESIDUE EDO A 1763 source : BC1 40) chain A residue 630 type sequence D description BINDING SITE FOR RESIDUE EDO A 1763 source : BC1 41) chain A residue 658 type sequence M description BINDING SITE FOR RESIDUE EDO A 1763 source : BC1 42) chain A residue 662 type sequence E description BINDING SITE FOR RESIDUE EDO A 1763 source : BC1 43) chain A residue 524 type sequence G description BINDING SITE FOR RESIDUE EDO A 1764 source : BC2 44) chain A residue 525 type sequence Y description BINDING SITE FOR RESIDUE EDO A 1764 source : BC2 45) chain A residue 584 type sequence R description BINDING SITE FOR RESIDUE EDO A 1764 source : BC2 46) chain A residue 670 type sequence R description BINDING SITE FOR RESIDUE EDO A 1765 source : BC3 47) chain A residue 674 type sequence V description BINDING SITE FOR RESIDUE EDO A 1765 source : BC3 48) chain A residue 675 type sequence I description BINDING SITE FOR RESIDUE EDO A 1765 source : BC3 49) chain A residue 652 type sequence Q description BINDING SITE FOR RESIDUE EDO A 1766 source : BC4 50) chain A residue 653 type sequence K description BINDING SITE FOR RESIDUE EDO A 1766 source : BC4 51) chain A residue 98 type sequence R description BINDING SITE FOR RESIDUE EDO A 1767 source : BC5 52) chain A residue 497 type sequence C description BINDING SITE FOR RESIDUE EDO A 1767 source : BC5 53) chain A residue 499 type sequence H description BINDING SITE FOR RESIDUE EDO A 1767 source : BC5 54) chain A residue 90 type sequence L description BINDING SITE FOR RESIDUE CL A 1768 source : BC6 55) chain A residue 91 type sequence N description BINDING SITE FOR RESIDUE CL A 1768 source : BC6 56) chain A residue 413 type sequence L description BINDING SITE FOR RESIDUE CL A 1768 source : BC6 57) chain A residue 416 type sequence T description BINDING SITE FOR RESIDUE CL A 1768 source : BC6 58) chain A residue 419 type sequence E description BINDING SITE FOR RESIDUE CL A 1768 source : BC6 59) chain A residue 496 type sequence F description BINDING SITE FOR RESIDUE YS6 A 1769 source : BC7 60) chain A residue 499 type sequence H description BINDING SITE FOR RESIDUE YS6 A 1769 source : BC7 61) chain A residue 509 type sequence N description BINDING SITE FOR RESIDUE YS6 A 1769 source : BC7 62) chain A residue 517 type sequence K description BINDING SITE FOR RESIDUE YS6 A 1769 source : BC7 63) chain A residue 587 type sequence H description BINDING SITE FOR RESIDUE YS6 A 1769 source : BC7 64) chain A residue 622 type sequence H description BINDING SITE FOR RESIDUE PO4 A 1770 source : BC8 65) chain A residue 694 type sequence K description BINDING SITE FOR RESIDUE PO4 A 1770 source : BC8 66) chain A residue 718 type sequence H description BINDING SITE FOR RESIDUE PO4 A 1770 source : BC8 67) chain A residue 679 type sequence R description BINDING SITE FOR RESIDUE PO4 A 1771 source : BC9 68) chain A residue 679 type sequence R description BINDING SITE FOR RESIDUE PO4 A 1771 source : BC9 69) chain A residue 692-744 type ZN_FING sequence CVKCKTTCFMSAISCSCKPGLLVCLHHVKELCSCPPYKYK LRYRYTLDDLYPM description C5HC2 => ECO:0000269|PubMed:26741168, ECO:0000269|PubMed:27214403, ECO:0000269|PubMed:28262558 source Swiss-Prot : SWS_FT_FI1 70) chain A residue 517 type BINDING sequence K description BINDING => ECO:0000250|UniProtKB:P29375 source Swiss-Prot : SWS_FT_FI2 71) chain A residue 425 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29375 source Swiss-Prot : SWS_FT_FI2 72) chain A residue 507 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29375 source Swiss-Prot : SWS_FT_FI2 73) chain A residue 509 type BINDING sequence N description BINDING => ECO:0000250|UniProtKB:P29375 source Swiss-Prot : SWS_FT_FI2 74) chain A residue 499 type BINDING sequence H description BINDING => ECO:0000305|PubMed:26741168, ECO:0000305|PubMed:27214403, ECO:0000305|PubMed:28262558 source Swiss-Prot : SWS_FT_FI3 75) chain A residue 501 type BINDING sequence E description BINDING => ECO:0000305|PubMed:26741168, ECO:0000305|PubMed:27214403, ECO:0000305|PubMed:28262558 source Swiss-Prot : SWS_FT_FI3 76) chain A residue 587 type BINDING sequence H description BINDING => ECO:0000305|PubMed:26741168, ECO:0000305|PubMed:27214403, ECO:0000305|PubMed:28262558 source Swiss-Prot : SWS_FT_FI3

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