eF-site ID 4ppc-AB PDB Code 4ppc Chain A, B click to enlarge Title ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE) Classification transferase/transferase inhibitor Compound Tyrosine-protein kinase ITK/TSK Source Homo sapiens (Human) (ITK_HUMAN) Sequence A:  SVIDPSELTFVQEIGSGGLVHLGYWLNKDKVAIKTIIEEA EVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYL RTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARN CLVGENQVIKVSDFPVKWASPEVFSFSRYSSKSDVWSFGV LMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTH VYQIMNHCWKERPEDRPAFSRLLRQLAEIAESG B:  SVIDPSELTFVQEIGSGGLVHLGYWLNKDKVAIKTIIEEA EVMMKLSHPKLVQLYGVCLAPICLVFEFMEHGCLSDYLRT QRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCL VGENQVIKVSDFPVKWASPEVFSFSRYSSKSDVWSFGVLM WEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVY QIMNHCWKERPEDRPAFSRLLRQLAEIAESG Description Functional site 1) chain A residue 389 type sequence A description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 2) chain A residue 391 type sequence K description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 3) chain A residue 435 type sequence F description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 4) chain A residue 436 type sequence E description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 5) chain A residue 437 type sequence F description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 6) chain A residue 438 type sequence M description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 7) chain A residue 439 type sequence E description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 8) chain A residue 440 type sequence H description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 9) chain A residue 441 type sequence G description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 10) chain A residue 489 type sequence L description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 11) chain A residue 500 type sequence D description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 12) chain B residue 367 type sequence Q description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 13) chain B residue 369 type sequence I description BINDING SITE FOR RESIDUE 2VW A 701 source : AC1 14) chain A residue 367 type sequence Q description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 15) chain A residue 369 type sequence I description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 16) chain A residue 377 type sequence V description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 17) chain B residue 389 type sequence A description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 18) chain B residue 391 type sequence K description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 19) chain B residue 419 type sequence V description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 20) chain B residue 435 type sequence F description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 21) chain B residue 436 type sequence E description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 22) chain B residue 437 type sequence F description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 23) chain B residue 438 type sequence M description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 24) chain B residue 439 type sequence E description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 25) chain B residue 441 type sequence G description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 26) chain B residue 489 type sequence L description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 27) chain B residue 499 type sequence S description BINDING SITE FOR RESIDUE 2VW B 701 source : AC2 28) 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 29) chain B 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 30) chain A residue 369 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 31) chain A residue 391 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 32) chain B residue 369 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 33) chain B residue 391 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 34) chain A residue 565 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:19690332 source Swiss-Prot : SWS_FT_FI4 35) chain B residue 565 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:19690332 source Swiss-Prot : SWS_FT_FI4 36) chain A residue 369-391 type prosite sequence IGSGGLVHLGYWLNKDKVAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGQFGLVHlGywlnkdk...........VAIK source prosite : PS00107 37) 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