eF-site ID 2cgu-A PDB Code 2cgu Chain A click to enlarge Title Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening Classification TRANSFERASE Compound SERINE/THREONINE-PROTEIN KINASE CHK1 Source (2CGU) Sequence A:  VEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRC PENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCS GGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITH RDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMC GTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPW DQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVE NPSARITIPDIKKDRWYNKPLKK Description Functional site 1) chain A residue 15 type sequence L description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 2) chain A residue 23 type sequence V description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 3) chain A residue 36 type sequence A description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 4) chain A residue 38 type sequence K description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 5) chain A residue 85 type sequence E description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 6) chain A residue 86 type sequence Y description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 7) chain A residue 87 type sequence C description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 8) chain A residue 88 type sequence S description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 9) chain A residue 137 type sequence L description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 10) chain A residue 148 type sequence D description BINDING SITE FOR RESIDUE 3A3 A1272 source : AC1 11) chain A residue 130 type ACT_SITE sequence D description Proton acceptor source Swiss-Prot : SWS_FT_FI1 12) chain A residue 15 type BINDING sequence L description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 13) chain A residue 38 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 14) 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_FI5 15) chain A residue 15-38 type prosite sequence LGEGAYGEVQLAVNRVTEEAVAVK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGAYGEVQlAvnrvteea..........VAVK source prosite : PS00107 16) chain A residue 126-138 type prosite sequence ITHRDIKPENLLL description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ItHrDIKpeNLLL source prosite : PS00108

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