eF-site ID 2ydk-A PDB Code 2ydk Chain A click to enlarge Title Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas Classification TRANSFERASE Compound SERINE/THREONINE-PROTEIN KINASE CHK1 Source (CHK1_HUMAN) Sequence A:  VPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDM KRENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYC SGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGIT HRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKM CGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELP WDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILV ENPSARITIPDIKKDRWYNKPLK Description Functional site 1) chain A residue 129 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1271 source : AC1 2) chain A residue 153 type sequence T description BINDING SITE FOR RESIDUE SO4 A 1271 source : AC1 3) chain A residue 162 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1271 source : AC1 4) chain A residue 166 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1271 source : AC1 5) chain A residue 74 type sequence R description BINDING SITE FOR RESIDUE GOL A 1272 source : AC2 6) chain A residue 75 type sequence R description BINDING SITE FOR RESIDUE GOL A 1272 source : AC2 7) chain A residue 232 type sequence K description BINDING SITE FOR RESIDUE GOL A 1272 source : AC2 8) chain A residue 235 type sequence D description BINDING SITE FOR RESIDUE GOL A 1272 source : AC2 9) chain A residue 10 type sequence D description BINDING SITE FOR RESIDUE GOL A 1273 source : AC3 10) chain A residue 12 type sequence V description BINDING SITE FOR RESIDUE GOL A 1273 source : AC3 11) chain A residue 162 type sequence R description BINDING SITE FOR RESIDUE GOL A 1273 source : AC3 12) chain A residue 33 type sequence E description BINDING SITE FOR RESIDUE GOL A 1274 source : AC4 13) chain A residue 71 type sequence Y description BINDING SITE FOR RESIDUE GOL A 1274 source : AC4 14) chain A residue 225 type sequence K description BINDING SITE FOR RESIDUE GOL A 1274 source : AC4 15) chain A residue 227 type sequence Y description BINDING SITE FOR RESIDUE GOL A 1274 source : AC4 16) chain A residue 228 type sequence L description BINDING SITE FOR RESIDUE GOL A 1274 source : AC4 17) chain A residue 156 type sequence R description BINDING SITE FOR RESIDUE GOL A 1275 source : AC5 18) chain A residue 161 type sequence E description BINDING SITE FOR RESIDUE GOL A 1275 source : AC5 19) chain A residue 187 type sequence E description BINDING SITE FOR RESIDUE GOL A 1275 source : AC5 20) chain A residue 93 type sequence F description BINDING SITE FOR RESIDUE GOL A 1276 source : AC6 21) chain A residue 204 type sequence G description BINDING SITE FOR RESIDUE GOL A 1276 source : AC6 22) chain A residue 205 type sequence E description BINDING SITE FOR RESIDUE GOL A 1276 source : AC6 23) chain A residue 23 type sequence V description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 24) chain A residue 36 type sequence A description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 25) chain A residue 68 type sequence V description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 26) chain A residue 85 type sequence E description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 27) chain A residue 86 type sequence Y description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 28) chain A residue 87 type sequence C description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 29) chain A residue 88 type sequence S description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 30) chain A residue 90 type sequence G description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 31) chain A residue 91 type sequence E description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 32) chain A residue 134 type sequence E description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 33) chain A residue 135 type sequence N description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 34) chain A residue 137 type sequence L description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 35) chain A residue 148 type sequence D description BINDING SITE FOR RESIDUE YDK A 1277 source : AC7 36) chain A residue 15-38 type prosite sequence LGEGAYGEVQLAVNRVTEEAVAVK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGAYGEVQlAvnrvteea..........VAVK source prosite : PS00107 37) chain A residue 126-138 type prosite sequence ITHRDIKPENLLL description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ItHrDIKpeNLLL source prosite : PS00108 38) chain A residue 130 type ACT_SITE sequence D description Proton acceptor source Swiss-Prot : SWS_FT_FI1 39) chain A residue 15 type BINDING sequence L description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 40) chain A residue 38 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 41) chain A residue 132 type CROSSLNK sequence K description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:32357935 source Swiss-Prot : SWS_FT_FI3

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