eF-site ID 2brb-A PDB Code 2brb Chain A click to enlarge Title Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity Classification TRANSFERASE Compound SERINE/THREONINE-PROTEIN KINASE CHK1 Source (2BRB) Sequence A:  AVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVD MKRCPENIKKEICINKMLNHENVVKFYGHRREGNIQYLFL EYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGI GITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLL NKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAG ELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHK ILVENPSARITIPDIKKDRWYNKPLKKGAKRP Description Functional site 1) chain A residue 54 type sequence K description BINDING SITE FOR RESIDUE SO4 A1278 source : AC1 2) chain A residue 129 type sequence R description BINDING SITE FOR RESIDUE SO4 A1278 source : AC1 3) chain A residue 153 type sequence T description BINDING SITE FOR RESIDUE SO4 A1278 source : AC1 4) chain A residue 162 type sequence R description BINDING SITE FOR RESIDUE SO4 A1278 source : AC1 5) chain A residue 166 type sequence K description BINDING SITE FOR RESIDUE SO4 A1278 source : AC1 6) chain A residue 15 type sequence L description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 7) chain A residue 16 type sequence G description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 8) chain A residue 23 type sequence V description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 9) chain A residue 36 type sequence A description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 10) chain A residue 85 type sequence E description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 11) chain A residue 87 type sequence C description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 12) chain A residue 88 type sequence S description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 13) chain A residue 91 type sequence E description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 14) chain A residue 137 type sequence L description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 15) chain A residue 147 type sequence S description BINDING SITE FOR RESIDUE PFQ A1277 source : AC2 16) chain A residue 15-38 type prosite sequence LGEGAYGEVQLAVNRVTEEAVAVK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGAYGEVQlAvnrvteea..........VAVK source prosite : PS00107 17) chain A residue 126-138 type prosite sequence ITHRDIKPENLLL description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ItHrDIKpeNLLL source prosite : PS00108 18) chain A residue 130 type ACT_SITE sequence D description Proton acceptor source Swiss-Prot : SWS_FT_FI1 19) chain A residue 15 type BINDING sequence L description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 20) chain A residue 38 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 21) 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

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