eF-site ID 5ei2-A PDB Code 5ei2 Chain A click to enlarge Title Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach Classification TRANSFERASE Compound Dual specificity protein kinase TTK Source Homo sapiens (Human) (TTK_HUMAN) Sequence A:  QSMSVKGRIYSILKQIGSGGSSKVFQVLNEKKQIYAIKYV NLEEADNQTLDSYRNEIAYLNKLQQHSDKIIRLYDYEITD QYIYMVMECGNIDLNSWLKKKKSIDPWERKSYWKNMLEAV HTIHQHGIVHSDLKPANFLIVDGMLKLIDFGIANQMQGTV NYMPPEAIKDMKISPKSDVWSLGCILYYMTYGKTPFQQII NQISKLHAIIDPNHEIEFPDIPEKDLQDVLKCCLKRDPKQ RISIPELLAHPYVQIQ Description (1)  Monopolar Spindle kinase 1 (MPS1) Functional site 1) chain A residue 529 type sequence K description binding site for residue 5O7 A 901 source : AC1 2) chain A residue 531 type sequence I description binding site for residue 5O7 A 901 source : AC1 3) chain A residue 541 type sequence Q description binding site for residue 5O7 A 901 source : AC1 4) chain A residue 551 type sequence A description binding site for residue 5O7 A 901 source : AC1 5) chain A residue 586 type sequence I description binding site for residue 5O7 A 901 source : AC1 6) chain A residue 602 type sequence M description binding site for residue 5O7 A 901 source : AC1 7) chain A residue 603 type sequence E description binding site for residue 5O7 A 901 source : AC1 8) chain A residue 604 type sequence C description binding site for residue 5O7 A 901 source : AC1 9) chain A residue 605 type sequence G description binding site for residue 5O7 A 901 source : AC1 10) chain A residue 606 type sequence N description binding site for residue 5O7 A 901 source : AC1 11) chain A residue 608 type sequence D description binding site for residue 5O7 A 901 source : AC1 12) chain A residue 611 type sequence S description binding site for residue 5O7 A 901 source : AC1 13) chain A residue 654 type sequence L description binding site for residue 5O7 A 901 source : AC1 14) chain A residue 647 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027 source Swiss-Prot : SWS_FT_FI1 15) chain A residue 553 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 16) chain A residue 531 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 17) chain A residue 531-553 type prosite sequence IGSGGSSKVFQVLNEKKQIYAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGGSSKVFqVlnekkqi...........YAIK source prosite : PS00107 18) chain A residue 643-655 type prosite sequence IVHSDLKPANFLI description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvHsDLKpaNFLI source prosite : PS00108

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