eF-site ID 4d0w-A PDB Code 4d0w Chain A click to enlarge Title Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors Classification TRANSFERASE Compound TYROSINE-PROTEIN KINASE JAK2 Source (JAK2_HUMAN) Sequence A:  RDPTQFEERHLKFLQQLGKGFGSVEMCRYDPLQDNTGEVV AVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYS AGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQ ICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTK VLPQDKEXXKVKEPGESPIFWYAPESLTESKFSVASDVWS FGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLI ELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDL ALRVDQIRDNM Description Functional site 1) chain A residue 934 type sequence Y description BINDING SITE FOR RESIDUE GOL A 2131 source : AC1 2) chain A residue 940 type sequence Y description BINDING SITE FOR RESIDUE GOL A 2131 source : AC1 3) chain A residue 943 type sequence K description BINDING SITE FOR RESIDUE GOL A 2131 source : AC1 4) chain A residue 944 type sequence H description BINDING SITE FOR RESIDUE GOL A 2131 source : AC1 5) chain A residue 944 type sequence H description BINDING SITE FOR RESIDUE GOL A 2131 source : AC1 6) chain A residue 855 type sequence L description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 7) chain A residue 856 type sequence G description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 8) chain A residue 858 type sequence G description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 9) chain A residue 861 type sequence G description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 10) chain A residue 863 type sequence V description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 11) chain A residue 880 type sequence A description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 12) chain A residue 930 type sequence E description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 13) chain A residue 931 type sequence Y description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 14) chain A residue 932 type sequence L description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 15) chain A residue 980 type sequence R description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 16) chain A residue 981 type sequence N description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 17) chain A residue 983 type sequence L description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 18) chain A residue 994 type sequence D description BINDING SITE FOR RESIDUE VVQ A 2132 source : AC2 19) chain A residue 1008 type MOD_RES sequence X description Phosphotyrosine; by autocatalysis => ECO:0000305|PubMed:16174768 source Swiss-Prot : SWS_FT_FI5 20) chain A residue 855 type BINDING sequence L description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 21) chain A residue 882 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 22) chain A residue 868 type MOD_RES sequence Y description Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q62120 source Swiss-Prot : SWS_FT_FI3 23) chain A residue 966 type MOD_RES sequence Y description Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q62120 source Swiss-Prot : SWS_FT_FI3 24) chain A residue 972 type MOD_RES sequence Y description Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q62120 source Swiss-Prot : SWS_FT_FI3 25) chain A residue 1007 type MOD_RES sequence X description Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:16174768 source Swiss-Prot : SWS_FT_FI4 26) chain A residue 855-883 type prosite sequence LGKGFGSVEMCRYDPLQDNTGEVVAVKK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGNFGSVEmCrydplqdntgevv.....AVKK source prosite : PS00107 27) chain A residue 972-984 type prosite sequence YIHRDLATRNILV description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. YIHrDLATRNILV source prosite : PS00109 28) chain A residue 976 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028 source Swiss-Prot : SWS_FT_FI1

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