eF-site ID 3rwp-A PDB Code 3rwp Chain A click to enlarge Title Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) Classification TRANSFERASE/TRANSFERASE INHIBITOR Compound 3-phosphoinositide-dependent protein kinase 1 Source null (PDPK1_HUMAN) Sequence A:  QPRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKI LEKRHIIKENKVPYVTRERDVMSRLDHPFFVKLYFTFQDD EKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSA LEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLSX FVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPP FRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDA TKRLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKLT Description (1)  3-phosphoinositide-dependent protein kinase 1 (E.C.2.7.11.1) Functional site 1) chain A residue 106 type sequence R description BINDING SITE FOR RESIDUE GOL A 901 source : AC1 2) chain A residue 107 type sequence E description BINDING SITE FOR RESIDUE GOL A 901 source : AC1 3) chain A residue 160 type sequence S description BINDING SITE FOR RESIDUE GOL A 901 source : AC1 4) chain A residue 161 type sequence Y description BINDING SITE FOR RESIDUE GOL A 901 source : AC1 5) chain A residue 103 type sequence A description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 6) chain A residue 104 type sequence T description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 7) chain A residue 139 type sequence H description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 8) chain A residue 191 type sequence S description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 9) chain A residue 347 type sequence W description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 10) chain A residue 348 type sequence E description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 11) chain A residue 349 type sequence N description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 12) chain A residue 350 type sequence L description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 13) chain A residue 351 type sequence H description BINDING SITE FOR RESIDUE GOL A 902 source : AC2 14) chain A residue 79 type sequence P description BINDING SITE FOR RESIDUE GOL A 903 source : AC3 15) chain A residue 84 type sequence F description BINDING SITE FOR RESIDUE GOL A 903 source : AC3 16) chain A residue 154 type sequence K description BINDING SITE FOR RESIDUE GOL A 903 source : AC3 17) chain A residue 156 type sequence Y description BINDING SITE FOR RESIDUE GOL A 903 source : AC3 18) chain A residue 328 type sequence E description BINDING SITE FOR RESIDUE GOL A 903 source : AC3 19) chain A residue 331 type sequence E description BINDING SITE FOR RESIDUE GOL A 903 source : AC3 20) chain A residue 332 type sequence G description BINDING SITE FOR RESIDUE GOL A 903 source : AC3 21) chain A residue 106 type sequence R description BINDING SITE FOR RESIDUE SO4 A 904 source : AC4 22) chain A residue 351 type sequence H description BINDING SITE FOR RESIDUE SO4 A 904 source : AC4 23) chain A residue 76 type sequence K description BINDING SITE FOR RESIDUE SO4 A 905 source : AC5 24) chain A residue 131 type sequence R description BINDING SITE FOR RESIDUE SO4 A 905 source : AC5 25) chain A residue 148 type sequence T description BINDING SITE FOR RESIDUE SO4 A 905 source : AC5 26) chain A residue 149 type sequence F description BINDING SITE FOR RESIDUE SO4 A 905 source : AC5 27) chain A residue 150 type sequence Q description BINDING SITE FOR RESIDUE SO4 A 905 source : AC5 28) chain A residue 144 type sequence K description BINDING SITE FOR RESIDUE SO4 A 906 source : AC6 29) chain A residue 144 type sequence K description BINDING SITE FOR RESIDUE SO4 A 906 source : AC6 30) chain A residue 146 type sequence Y description BINDING SITE FOR RESIDUE SO4 A 906 source : AC6 31) chain A residue 146 type sequence Y description BINDING SITE FOR RESIDUE SO4 A 906 source : AC6 32) chain A residue 146 type sequence Y description BINDING SITE FOR RESIDUE SO4 A 907 source : AC7 33) chain A residue 160 type sequence S description BINDING SITE FOR RESIDUE SO4 A 907 source : AC7 34) chain A residue 220 type sequence Q description BINDING SITE FOR RESIDUE SO4 A 907 source : AC7 35) chain A residue 106 type sequence R description BINDING SITE FOR RESIDUE SO4 A 908 source : AC8 36) chain A residue 107 type sequence E description BINDING SITE FOR RESIDUE SO4 A 908 source : AC8 37) chain A residue 351 type sequence H description BINDING SITE FOR RESIDUE SO4 A 908 source : AC8 38) chain A residue 352 type sequence Q description BINDING SITE FOR RESIDUE SO4 A 908 source : AC8 39) chain A residue 73 type sequence Q description BINDING SITE FOR RESIDUE SO4 A 909 source : AC9 40) chain A residue 75 type sequence R description BINDING SITE FOR RESIDUE SO4 A 909 source : AC9 41) chain A residue 136 type sequence R description BINDING SITE FOR RESIDUE SO4 A 909 source : AC9 42) chain A residue 199 type sequence K description BINDING SITE FOR RESIDUE SO4 A 909 source : AC9 43) chain A residue 91 type sequence G description BINDING SITE FOR RESIDUE GOL A 910 source : BC1 44) chain A residue 92 type sequence S description BINDING SITE FOR RESIDUE GOL A 910 source : BC1 45) chain A residue 93 type sequence F description BINDING SITE FOR RESIDUE GOL A 910 source : BC1 46) chain A residue 88 type sequence L description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 47) chain A residue 89 type sequence G description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 48) chain A residue 90 type sequence E description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 49) chain A residue 91 type sequence G description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 50) chain A residue 94 type sequence S description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 51) chain A residue 95 type sequence T description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 52) chain A residue 96 type sequence V description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 53) chain A residue 109 type sequence A description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 54) chain A residue 111 type sequence K description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 55) chain A residue 159 type sequence L description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 56) chain A residue 160 type sequence S description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 57) chain A residue 162 type sequence A description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 58) chain A residue 166 type sequence E description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 59) chain A residue 209 type sequence E description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 60) chain A residue 212 type sequence L description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 61) chain A residue 222 type sequence T description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 62) chain A residue 223 type sequence D description BINDING SITE FOR RESIDUE ABQ A 360 source : BC2 63) chain A residue 205 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027 source Swiss-Prot : SWS_FT_FI1 64) chain A residue 111 type BINDING sequence K description BINDING => ECO:0000269|PubMed:12169624, ECO:0000269|PubMed:15741170, ECO:0000269|PubMed:22999883 source Swiss-Prot : SWS_FT_FI2 65) chain A residue 160 type BINDING sequence S description BINDING => ECO:0000269|PubMed:12169624, ECO:0000269|PubMed:15741170, ECO:0000269|PubMed:22999883 source Swiss-Prot : SWS_FT_FI2 66) chain A residue 166 type BINDING sequence E description BINDING => ECO:0000269|PubMed:12169624, ECO:0000269|PubMed:15741170, ECO:0000269|PubMed:22999883 source Swiss-Prot : SWS_FT_FI2 67) chain A residue 223 type BINDING sequence D description BINDING => ECO:0000269|PubMed:12169624, ECO:0000269|PubMed:15741170, ECO:0000269|PubMed:22999883 source Swiss-Prot : SWS_FT_FI2 68) chain A residue 92 type BINDING sequence S description BINDING => ECO:0000269|PubMed:12169624, ECO:0000269|PubMed:15741170, ECO:0000269|PubMed:22999883 source Swiss-Prot : SWS_FT_FI2 69) chain A residue 209 type BINDING sequence E description BINDING => ECO:0000269|PubMed:22999883 source Swiss-Prot : SWS_FT_FI3 70) chain A residue 241 type MOD_RES sequence X description Phosphoserine; by autocatalysis => ECO:0000269|PubMed:10455013, ECO:0000269|PubMed:11481331, ECO:0000269|PubMed:15772071, ECO:0000269|PubMed:16780920, ECO:0000269|Ref.8 source Swiss-Prot : SWS_FT_FI4 71) chain A residue 304 type MOD_RES sequence K description N6-acetyllysine => ECO:0000250|UniProtKB:Q9Z2A0 source Swiss-Prot : SWS_FT_FI5 72) chain A residue 354 type MOD_RES sequence T description Phosphothreonine; by MELK => ECO:0000269|PubMed:22544756 source Swiss-Prot : SWS_FT_FI6 73) chain A residue 88-111 type prosite sequence LGEGSFSTVVLARELATSREYAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGSFSTVVlArelatsre..........YAIK source prosite : PS00107 74) chain A residue 201-213 type prosite sequence IIHRDLKPENILL description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKpeNILL source prosite : PS00108

Display surface Download Links