eF-site ID 4m13-A PDB Code 4m13 Chain A click to enlarge Title Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide] Classification TRANSFERASE/TRANSFERASE INHIBITOR Compound Tyrosine-protein kinase ITK/TSK Source Homo sapiens (Human) (ITK_HUMAN) Sequence A:  KWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIR EGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLV FEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLE EACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTS STGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSE GKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHC WRERPEDRPAFSRLLRQLAEIAES Description Functional site 1) chain A residue 403 type sequence F description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 2) chain A residue 407 type sequence A description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 3) chain A residue 410 type sequence M description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 4) chain A residue 413 type sequence L description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 5) chain A residue 419 type sequence V description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 6) chain A residue 420 type sequence Q description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 7) chain A residue 421 type sequence L description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 8) chain A residue 423 type sequence G description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 9) chain A residue 424 type sequence V description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 10) chain A residue 435 type sequence F description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 11) chain A residue 499 type sequence S description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 12) chain A residue 500 type sequence D description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 13) chain A residue 501 type sequence F description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 14) chain A residue 506 type sequence F description BINDING SITE FOR RESIDUE 1E0 A 701 source : AC1 15) 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 16) chain A residue 391 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 17) chain A residue 369 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 18) chain A residue 512 type MOD_RES sequence Y description Phosphotyrosine; by LCK => ECO:0007744|PubMed:19690332 source Swiss-Prot : SWS_FT_FI3 19) chain A residue 565 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:19690332 source Swiss-Prot : SWS_FT_FI4 20) chain A residue 369-391 type prosite sequence IGSGQFGLVHLGYWLNKDKVAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGQFGLVHlGywlnkdk...........VAIK source prosite : PS00107 21) chain A residue 478-490 type prosite sequence VIHRDLAARNCLV description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. VIHrDLAARNCLV source prosite : PS00109

Display surface Download Links