eF-site ID 1uu3-A PDB Code 1uu3 Chain A click to enlarge Title Structure of human PDK1 kinase domain in complex with LY333531 Classification TRANSFERASE Compound 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 Source (PDPK_HUMAN) Sequence A:  QPRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKI LEKRHIIKENKVPYVTRERDVMSRLDHPFFVKLYFTFQDD EKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSA LEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLXF VGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPF RAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDAT KRLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKLTA Description Functional site 1) chain A residue 76 type sequence K description BINDING SITE FOR RESIDUE SO4 A1367 source : AC1 2) chain A residue 131 type sequence R description BINDING SITE FOR RESIDUE SO4 A1367 source : AC1 3) chain A residue 148 type sequence T description BINDING SITE FOR RESIDUE SO4 A1367 source : AC1 4) chain A residue 149 type sequence F description BINDING SITE FOR RESIDUE SO4 A1367 source : AC1 5) chain A residue 150 type sequence Q description BINDING SITE FOR RESIDUE SO4 A1367 source : AC1 6) chain A residue 144 type sequence K description BINDING SITE FOR RESIDUE SO4 A1368 source : AC2 7) chain A residue 146 type sequence Y description BINDING SITE FOR RESIDUE SO4 A1368 source : AC2 8) chain A residue 160 type sequence S description BINDING SITE FOR RESIDUE SO4 A1368 source : AC2 9) chain A residue 220 type sequence Q description BINDING SITE FOR RESIDUE SO4 A1368 source : AC2 10) chain A residue 106 type sequence R description BINDING SITE FOR RESIDUE SO4 A1369 source : AC3 11) chain A residue 140 type sequence P description BINDING SITE FOR RESIDUE SO4 A1369 source : AC3 12) chain A residue 144 type sequence K description BINDING SITE FOR RESIDUE SO4 A1369 source : AC3 13) chain A residue 351 type sequence H description BINDING SITE FOR RESIDUE SO4 A1369 source : AC3 14) chain A residue 83 type sequence K description BINDING SITE FOR RESIDUE SO4 A1370 source : AC4 15) chain A residue 345 type sequence V description BINDING SITE FOR RESIDUE SO4 A1370 source : AC4 16) chain A residue 346 type sequence T description BINDING SITE FOR RESIDUE SO4 A1370 source : AC4 17) chain A residue 347 type sequence W description BINDING SITE FOR RESIDUE SO4 A1370 source : AC4 18) chain A residue 348 type sequence E description BINDING SITE FOR RESIDUE SO4 A1370 source : AC4 19) chain A residue 91 type sequence G description BINDING SITE FOR RESIDUE SO4 A1371 source : AC5 20) chain A residue 92 type sequence S description BINDING SITE FOR RESIDUE SO4 A1371 source : AC5 21) chain A residue 93 type sequence F description BINDING SITE FOR RESIDUE SO4 A1371 source : AC5 22) chain A residue 94 type sequence S description BINDING SITE FOR RESIDUE SO4 A1371 source : AC5 23) chain A residue 75 type sequence R description BINDING SITE FOR RESIDUE SO4 A1372 source : AC6 24) chain A residue 136 type sequence R description BINDING SITE FOR RESIDUE SO4 A1372 source : AC6 25) chain A residue 199 type sequence K description BINDING SITE FOR RESIDUE SO4 A1372 source : AC6 26) chain A residue 106 type sequence R description BINDING SITE FOR RESIDUE SO4 A1373 source : AC7 27) chain A residue 107 type sequence E description BINDING SITE FOR RESIDUE SO4 A1373 source : AC7 28) chain A residue 351 type sequence H description BINDING SITE FOR RESIDUE SO4 A1373 source : AC7 29) chain A residue 352 type sequence Q description BINDING SITE FOR RESIDUE SO4 A1373 source : AC7 30) chain A residue 88 type sequence L description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 31) chain A residue 89 type sequence G description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 32) chain A residue 109 type sequence A description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 33) chain A residue 111 type sequence K description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 34) chain A residue 130 type sequence E description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 35) chain A residue 143 type sequence V description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 36) chain A residue 159 type sequence L description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 37) chain A residue 160 type sequence S description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 38) chain A residue 161 type sequence Y description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 39) chain A residue 162 type sequence A description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 40) chain A residue 165 type sequence G description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 41) chain A residue 166 type sequence E description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 42) chain A residue 209 type sequence E description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 43) chain A residue 210 type sequence N description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 44) chain A residue 212 type sequence L description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 45) chain A residue 222 type sequence T description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 46) chain A residue 223 type sequence D description BINDING SITE FOR RESIDUE LY4 A1374 source : AC8 47) chain A residue 106 type sequence R description BINDING SITE FOR RESIDUE GOL A1359 source : AC9 48) chain A residue 107 type sequence E description BINDING SITE FOR RESIDUE GOL A1359 source : AC9 49) chain A residue 108 type sequence Y description BINDING SITE FOR RESIDUE GOL A1359 source : AC9 50) chain A residue 161 type sequence Y description BINDING SITE FOR RESIDUE GOL A1359 source : AC9 51) chain A residue 111 type sequence K description BINDING SITE FOR RESIDUE GOL A1360 source : BC1 52) chain A residue 113 type sequence L description BINDING SITE FOR RESIDUE GOL A1360 source : BC1 53) chain A residue 126 type sequence Y description BINDING SITE FOR RESIDUE GOL A1360 source : BC1 54) chain A residue 127 type sequence V description BINDING SITE FOR RESIDUE GOL A1360 source : BC1 55) chain A residue 130 type sequence E description BINDING SITE FOR RESIDUE GOL A1360 source : BC1 56) chain A residue 79 type sequence P description BINDING SITE FOR RESIDUE GOL A1361 source : BC2 57) chain A residue 154 type sequence K description BINDING SITE FOR RESIDUE GOL A1361 source : BC2 58) chain A residue 156 type sequence Y description BINDING SITE FOR RESIDUE GOL A1361 source : BC2 59) chain A residue 328 type sequence E description BINDING SITE FOR RESIDUE GOL A1361 source : BC2 60) chain A residue 331 type sequence E description BINDING SITE FOR RESIDUE GOL A1361 source : BC2 61) chain A residue 332 type sequence G description BINDING SITE FOR RESIDUE GOL A1361 source : BC2 62) chain A residue 76 type sequence K description BINDING SITE FOR RESIDUE GOL A1362 source : BC3 63) chain A residue 147 type sequence F description BINDING SITE FOR RESIDUE GOL A1362 source : BC3 64) chain A residue 148 type sequence T description BINDING SITE FOR RESIDUE GOL A1362 source : BC3 65) chain A residue 297 type sequence L description BINDING SITE FOR RESIDUE GOL A1363 source : BC4 66) chain A residue 299 type sequence Y description BINDING SITE FOR RESIDUE GOL A1363 source : BC4 67) chain A residue 301 type sequence F description BINDING SITE FOR RESIDUE GOL A1363 source : BC4 68) chain A residue 103 type sequence A description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 69) chain A residue 104 type sequence T description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 70) chain A residue 105 type sequence S description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 71) chain A residue 139 type sequence H description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 72) chain A residue 191 type sequence S description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 73) chain A residue 347 type sequence W description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 74) chain A residue 348 type sequence E description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 75) chain A residue 349 type sequence N description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 76) chain A residue 350 type sequence L description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 77) chain A residue 351 type sequence H description BINDING SITE FOR RESIDUE GOL A1364 source : BC5 78) chain A residue 82 type sequence F description BINDING SITE FOR RESIDUE GOL A1365 source : BC6 79) chain A residue 83 type sequence K description BINDING SITE FOR RESIDUE GOL A1365 source : BC6 80) chain A residue 84 type sequence F description BINDING SITE FOR RESIDUE GOL A1365 source : BC6 81) chain A residue 194 type sequence E description BINDING SITE FOR RESIDUE GOL A1365 source : BC6 82) chain A residue 334 type sequence G description BINDING SITE FOR RESIDUE GOL A1365 source : BC6 83) chain A residue 337 type sequence K description BINDING SITE FOR RESIDUE GOL A1365 source : BC6 84) chain A residue 89 type sequence G description BINDING SITE FOR RESIDUE GOL A1366 source : BC7 85) chain A residue 90 type sequence E description BINDING SITE FOR RESIDUE GOL A1366 source : BC7 86) chain A residue 209 type BINDING sequence E description BINDING => ECO:0000269|PubMed:22999883 source Swiss-Prot : SWS_FT_FI3 87) 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 88) chain A residue 304 type MOD_RES sequence K description N6-acetyllysine => ECO:0000250|UniProtKB:Q9Z2A0 source Swiss-Prot : SWS_FT_FI5 89) chain A residue 354 type MOD_RES sequence T description Phosphothreonine; by MELK => ECO:0000269|PubMed:22544756 source Swiss-Prot : SWS_FT_FI6 90) chain A residue 88-111 type prosite sequence LGEGSFSTVVLARELATSREYAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGSFSTVVlArelatsre..........YAIK source prosite : PS00107 91) chain A residue 201-213 type prosite sequence IIHRDLKPENILL description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKpeNILL source prosite : PS00108 92) 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 93) 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 94) 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 95) 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 96) 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 97) 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

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