eF-site ID 3t9t-A PDB Code 3t9t Chain A click to enlarge Title Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline Classification TRANSFERASE/TRANSFERASE INHIBITOR Compound Tyrosine-protein kinase ITK/TSK Source Homo sapiens (Human) (ITK_HUMAN) Sequence A:  WVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIRE GAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVT EFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEE ACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSS TGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEG KIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCW RERPEDRPAFSRLLRQLAEIAES Description Functional site 1) chain A residue 369 type sequence I description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 2) chain A residue 371 type sequence S description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 3) chain A residue 372 type sequence G description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 4) chain A residue 377 type sequence V description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 5) chain A residue 389 type sequence A description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 6) chain A residue 391 type sequence K description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 7) chain A residue 433 type sequence L description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 8) chain A residue 435 type sequence T description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 9) chain A residue 436 type sequence E description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 10) chain A residue 437 type sequence F description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 11) chain A residue 438 type sequence M description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 12) chain A residue 442 type sequence C description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 13) chain A residue 445 type sequence D description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 14) chain A residue 489 type sequence L description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 15) chain A residue 499 type sequence S description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 16) chain A residue 500 type sequence D description BINDING SITE FOR RESIDUE IAQ A 800 source : AC1 17) chain A residue 372 type sequence G description BINDING SITE FOR RESIDUE GOL A 1 source : AC2 18) chain A residue 373 type sequence Q description BINDING SITE FOR RESIDUE GOL A 1 source : AC2 19) chain A residue 486 type sequence R description BINDING SITE FOR RESIDUE GOL A 1 source : AC2 20) chain A residue 499 type sequence S description BINDING SITE FOR RESIDUE GOL A 1 source : AC2 21) chain A residue 500 type sequence D description BINDING SITE FOR RESIDUE GOL A 1 source : AC2 22) chain A residue 513 type sequence T description BINDING SITE FOR RESIDUE GOL A 2 source : AC3 23) chain A residue 482 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028 source Swiss-Prot : SWS_FT_FI1 24) chain A residue 369 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 25) chain A residue 391 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 26) chain A residue 512 type MOD_RES sequence Y description Phosphotyrosine; by LCK => ECO:0007744|PubMed:19690332 source Swiss-Prot : SWS_FT_FI3 27) chain A residue 565 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:19690332 source Swiss-Prot : SWS_FT_FI4 28) chain A residue 369-391 type prosite sequence IGSGQFGLVHLGYWLNKDKVAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGQFGLVHlGywlnkdk...........VAIK source prosite : PS00107 29) chain A residue 478-490 type prosite sequence VIHRDLAARNCLV description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. VIHrDLAARNCLV source prosite : PS00109

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