eF-site ID 6hrt-A PDB Code 6hrt Chain A click to enlarge Title CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one Classification TRANSFERASE Compound Tyrosine-protein kinase BTK Source (BTK_HUMAN) Sequence A:  EIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEG SMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITE YMANGCLLNYLREARHAFQTQQLLEMCKDVCEAMEYLESK QFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSV GSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGK MPYERFTNSETAEHIAQGLRLYRPHLASAAVYTIMYSCWH EKADERPTFKILLSNILDVMDEE Description (1)  Tyrosine-protein kinase BTK (E.C.2.7.10.2) Functional site 1) chain A residue 413 type sequence F description binding site for residue GMW A 701 source : AC1 2) chain A residue 416 type sequence V description binding site for residue GMW A 701 source : AC1 3) chain A residue 428 type sequence A description binding site for residue GMW A 701 source : AC1 4) chain A residue 430 type sequence K description binding site for residue GMW A 701 source : AC1 5) chain A residue 474 type sequence T description binding site for residue GMW A 701 source : AC1 6) chain A residue 475 type sequence E description binding site for residue GMW A 701 source : AC1 7) chain A residue 476 type sequence Y description binding site for residue GMW A 701 source : AC1 8) chain A residue 477 type sequence M description binding site for residue GMW A 701 source : AC1 9) chain A residue 478 type sequence A description binding site for residue GMW A 701 source : AC1 10) chain A residue 479 type sequence N description binding site for residue GMW A 701 source : AC1 11) chain A residue 480 type sequence G description binding site for residue GMW A 701 source : AC1 12) chain A residue 521 type sequence D description binding site for residue GMW A 701 source : AC1 13) chain A residue 526 type sequence N description binding site for residue GMW A 701 source : AC1 14) chain A residue 528 type sequence L description binding site for residue GMW A 701 source : AC1 15) chain A residue 538 type sequence S description binding site for residue GMW A 701 source : AC1 16) chain A residue 539 type sequence D description binding site for residue GMW A 701 source : AC1 17) chain A residue 543 type sequence S description binding site for residue GMW A 701 source : AC1 18) chain A residue 551 type sequence Y description binding site for residue GMW A 701 source : AC1 19) chain A residue 408-430 type prosite sequence LGTGQFGVVKYGKWRGQYDVAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGTGQFGVVKyGkwrgqyd...........VAIK source prosite : PS00107 20) chain A residue 517-529 type prosite sequence FLHRDLAARNCLV description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FLHrDLAARNCLV source prosite : PS00109 21) chain A residue 625 type MOD_RES sequence A description Phosphoserine => ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI9 22) chain A residue 517 type MOD_RES sequence F description Phosphotyrosine; by LYN and SYK => ECO:0000269|PubMed:8630736, ECO:0000269|PubMed:9012831 source Swiss-Prot : SWS_FT_FI5 23) chain A residue 570 type MOD_RES sequence M description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI6 24) chain A residue 583 type MOD_RES sequence F description Phosphotyrosine => ECO:0000269|PubMed:15375214 source Swiss-Prot : SWS_FT_FI7 25) chain A residue 589 type MOD_RES sequence E description Phosphoserine => ECO:0000269|PubMed:15375214 source Swiss-Prot : SWS_FT_FI8 26) chain A residue 487 type ACT_SITE sequence R description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028 source Swiss-Prot : SWS_FT_FI1 27) chain A residue 396 type BINDING sequence E description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 28) chain A residue 440 type BINDING sequence D description BINDING => ECO:0000269|PubMed:20052711, ECO:0007744|PDB:3K54, ECO:0007744|PDB:3OCT source Swiss-Prot : SWS_FT_FI3 29) chain A residue 508 type BINDING sequence A description BINDING => ECO:0000269|PubMed:21280133, ECO:0007744|PDB:3PIY source Swiss-Prot : SWS_FT_FI4

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