eF-site ID 6aua-A PDB Code 6aua Chain A click to enlarge Title CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR CGI2625 Classification Transferase/transferase Inhibitor Compound Tyrosine-protein kinase BTK Source (BTK_HUMAN) Sequence A:  SWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIK EGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFII TEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLE SKQFLHRDLAARNCLVNDQGVVKVSDFGLSAYVLDDEYTS SVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSL GKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSC WHEKADERPTFKILLSNILDVMDAN Description Functional site 1) chain A residue 520 type sequence R description binding site for residue GOL A 701 source : AC1 2) chain A residue 543 type sequence S description binding site for residue GOL A 701 source : AC1 3) chain A residue 551 type sequence Y description binding site for residue GOL A 701 source : AC1 4) chain A residue 560 type sequence P description binding site for residue GOL A 701 source : AC1 5) chain A residue 574 type sequence F description binding site for residue GOL A 701 source : AC1 6) chain A residue 466 type sequence K description binding site for residue SO4 A 702 source : AC2 7) chain A residue 487 type sequence R description binding site for residue SO4 A 702 source : AC2 8) chain A residue 490 type sequence R description binding site for residue SO4 A 702 source : AC2 9) chain A residue 595 type sequence K description binding site for residue SO4 A 702 source : AC2 10) chain A residue 592 type sequence S description binding site for residue SO4 A 703 source : AC3 11) chain A residue 595 type sequence K description binding site for residue SO4 A 703 source : AC3 12) chain A residue 617 type sequence Y description binding site for residue SO4 A 703 source : AC3 13) chain A residue 619 type sequence P description binding site for residue SO4 A 703 source : AC3 14) chain A residue 620 type sequence H description binding site for residue SO4 A 703 source : AC3 15) chain A residue 408 type sequence L description binding site for residue BXJ A 704 source : AC4 16) chain A residue 412 type sequence Q description binding site for residue BXJ A 704 source : AC4 17) chain A residue 416 type sequence V description binding site for residue BXJ A 704 source : AC4 18) chain A residue 428 type sequence A description binding site for residue BXJ A 704 source : AC4 19) chain A residue 430 type sequence K description binding site for residue BXJ A 704 source : AC4 20) chain A residue 476 type sequence Y description binding site for residue BXJ A 704 source : AC4 21) chain A residue 477 type sequence M description binding site for residue BXJ A 704 source : AC4 22) chain A residue 478 type sequence A description binding site for residue BXJ A 704 source : AC4 23) chain A residue 480 type sequence G description binding site for residue BXJ A 704 source : AC4 24) chain A residue 521 type sequence D description binding site for residue BXJ A 704 source : AC4 25) chain A residue 526 type sequence N description binding site for residue BXJ A 704 source : AC4 26) chain A residue 528 type sequence L description binding site for residue BXJ A 704 source : AC4 27) chain A residue 539 type sequence D description binding site for residue BXJ A 704 source : AC4 28) chain A residue 542 type sequence L description binding site for residue BXJ A 704 source : AC4 29) chain A residue 543 type sequence S description binding site for residue BXJ A 704 source : AC4 30) chain A residue 546 type sequence V description binding site for residue BXJ A 704 source : AC4 31) chain A residue 551 type sequence Y description binding site for residue BXJ A 704 source : AC4 32) 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 33) chain A residue 396 type BINDING sequence E description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 34) 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 35) chain A residue 508 type BINDING sequence A description BINDING => ECO:0000269|PubMed:21280133, ECO:0007744|PDB:3PIY source Swiss-Prot : SWS_FT_FI4 36) 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 37) chain A residue 570 type MOD_RES sequence M description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI6 38) chain A residue 583 type MOD_RES sequence F description Phosphotyrosine => ECO:0000269|PubMed:15375214 source Swiss-Prot : SWS_FT_FI7 39) chain A residue 589 type MOD_RES sequence E description Phosphoserine => ECO:0000269|PubMed:15375214 source Swiss-Prot : SWS_FT_FI8 40) chain A residue 408-430 type prosite sequence LGTGQFGVVKYGKWRGQYDVAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGTGQFGVVKyGkwrgqyd...........VAIK source prosite : PS00107 41) chain A residue 517-529 type prosite sequence FLHRDLAARNCLV description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FLHrDLAARNCLV source prosite : PS00109 42) chain A residue 625 type MOD_RES sequence K description Phosphoserine => ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI9

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