eF-site ID 5ia0-ABC PDB Code 5ia0 Chain A, B, C click to enlarge Title Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) Classification TRANSFERASE Compound Ephrin type-A receptor 2 Source (EPHA2_HUMAN) Sequence A:  FTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTKEVPVAIKT LKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKP MMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGM KYLANMNYVHRDLAARNILVNSNLVCKVSDFGIPIRWTAP EAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEV MKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFAD IVSILDKLIRAPDSLKTLADFDP B:  AVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSKEVP VAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVI SKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRG IAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSR VLIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGER PYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQ ERARRPKFADIVSILDKLIRAPDSLK C:  AVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTGKKEV PVAIKTLKATEKQRVDFLGEAGIMGQFSHHNIIRLEGVIS KYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGI AAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSPI RWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWEL SNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARR PKFADIVSILDKLIRAPDSLKTLADFDPR Description Functional site 1) chain A residue 619 type sequence I description binding site for residue A5B A 1001 source : AC1 2) chain A residue 621 type sequence A description binding site for residue A5B A 1001 source : AC1 3) chain A residue 644 type sequence A description binding site for residue A5B A 1001 source : AC1 4) chain A residue 646 type sequence K description binding site for residue A5B A 1001 source : AC1 5) chain A residue 663 type sequence E description binding site for residue A5B A 1001 source : AC1 6) chain A residue 694 type sequence Y description binding site for residue A5B A 1001 source : AC1 7) chain A residue 695 type sequence M description binding site for residue A5B A 1001 source : AC1 8) chain A residue 696 type sequence E description binding site for residue A5B A 1001 source : AC1 9) chain A residue 698 type sequence G description binding site for residue A5B A 1001 source : AC1 10) chain A residue 702 type sequence K description binding site for residue A5B A 1001 source : AC1 11) chain A residue 746 type sequence L description binding site for residue A5B A 1001 source : AC1 12) chain A residue 756 type sequence S description binding site for residue A5B A 1001 source : AC1 13) chain A residue 617 type sequence K description binding site for residue EDO A 1002 source : AC2 14) chain A residue 694 type sequence Y description binding site for residue EDO A 1002 source : AC2 15) chain A residue 731 type sequence A description binding site for residue EDO A 1003 source : AC3 16) chain A residue 863 type sequence K description binding site for residue EDO A 1003 source : AC3 17) chain A residue 864 type sequence F description binding site for residue EDO A 1003 source : AC3 18) chain A residue 865 type sequence A description binding site for residue EDO A 1003 source : AC3 19) chain A residue 750 type sequence N description binding site for residue EDO A 1004 source : AC4 20) chain A residue 852 type sequence Q description binding site for residue EDO A 1005 source : AC5 21) chain A residue 860 type sequence R description binding site for residue EDO A 1005 source : AC5 22) chain A residue 862 type sequence P description binding site for residue EDO A 1005 source : AC5 23) chain C residue 888 type sequence D description binding site for residue EDO A 1005 source : AC5 24) chain C residue 890 type sequence R description binding site for residue EDO A 1005 source : AC5 25) chain A residue 861 type sequence R description binding site for residue EDO A 1006 source : AC6 26) chain A residue 863 type sequence K description binding site for residue EDO A 1006 source : AC6 27) chain A residue 866 type sequence D description binding site for residue EDO A 1006 source : AC6 28) chain A residue 672 type sequence H description binding site for residue EDO A 1007 source : AC7 29) chain A residue 725 type sequence A description binding site for residue EDO A 1007 source : AC7 30) chain A residue 728 type sequence K description binding site for residue EDO A 1007 source : AC7 31) chain B residue 619 type sequence I description binding site for residue A5B B 1001 source : AC8 32) chain B residue 621 type sequence A description binding site for residue A5B B 1001 source : AC8 33) chain B residue 644 type sequence A description binding site for residue A5B B 1001 source : AC8 34) chain B residue 646 type sequence K description binding site for residue A5B B 1001 source : AC8 35) chain B residue 663 type sequence E description binding site for residue A5B B 1001 source : AC8 36) chain B residue 694 type sequence Y description binding site for residue A5B B 1001 source : AC8 37) chain B residue 695 type sequence M description binding site for residue A5B B 1001 source : AC8 38) chain B residue 696 type sequence E description binding site for residue A5B B 1001 source : AC8 39) chain B residue 698 type sequence G description binding site for residue A5B B 1001 source : AC8 40) chain B residue 702 type sequence K description binding site for residue A5B B 1001 source : AC8 41) chain B residue 744 type sequence N description binding site for residue A5B B 1001 source : AC8 42) chain B residue 746 type sequence L description binding site for residue A5B B 1001 source : AC8 43) chain B residue 756 type sequence S description binding site for residue A5B B 1001 source : AC8 44) chain B residue 835 type sequence R description binding site for residue EDO B 1002 source : AC9 45) chain C residue 616 type sequence Q description binding site for residue EDO B 1002 source : AC9 46) chain A residue 616 type sequence Q description binding site for residue EDO B 1003 source : AD1 47) chain A residue 617 type sequence K description binding site for residue EDO B 1003 source : AD1 48) chain B residue 750 type sequence N description binding site for residue EDO B 1003 source : AD1 49) chain B residue 705 type sequence R description binding site for residue EDO B 1004 source : AD2 50) chain B residue 708 type sequence D description binding site for residue EDO B 1004 source : AD2 51) chain B residue 812 type sequence T description binding site for residue EDO B 1004 source : AD2 52) chain B residue 813 type sequence Y description binding site for residue EDO B 1004 source : AD2 53) chain B residue 693 type sequence E description binding site for residue EDO B 1005 source : AD3 54) chain B residue 694 type sequence Y description binding site for residue EDO B 1005 source : AD3 55) chain B residue 695 type sequence M description binding site for residue EDO B 1005 source : AD3 56) chain B residue 696 type sequence E description binding site for residue EDO B 1005 source : AD3 57) chain B residue 748 type sequence N description binding site for residue EDO B 1005 source : AD3 58) chain B residue 705 type sequence R description binding site for residue EDO B 1006 source : AD4 59) chain B residue 706 type sequence E description binding site for residue EDO B 1006 source : AD4 60) chain B residue 670 type sequence F description binding site for residue EDO B 1007 source : AD5 61) chain B residue 677 type sequence R description binding site for residue EDO B 1007 source : AD5 62) chain B residue 678 type sequence L description binding site for residue EDO B 1007 source : AD5 63) chain B residue 617 type sequence K description binding site for residue EDO B 1008 source : AD6 64) chain B residue 619 type sequence I description binding site for residue EDO B 1008 source : AD6 65) chain B residue 601 type sequence V description binding site for residue EDO B 1009 source : AD7 66) chain B residue 602 type sequence L description binding site for residue EDO B 1009 source : AD7 67) chain B residue 603 type sequence K description binding site for residue EDO B 1009 source : AD7 68) chain B residue 604 type sequence F description binding site for residue EDO B 1009 source : AD7 69) chain B residue 731 type sequence A description binding site for residue EDO B 1010 source : AD8 70) chain B residue 863 type sequence K description binding site for residue EDO B 1010 source : AD8 71) chain B residue 864 type sequence F description binding site for residue EDO B 1010 source : AD8 72) chain B residue 865 type sequence A description binding site for residue EDO B 1010 source : AD8 73) chain C residue 619 type sequence I description binding site for residue A5B C 1001 source : AD9 74) chain C residue 621 type sequence A description binding site for residue A5B C 1001 source : AD9 75) chain C residue 644 type sequence A description binding site for residue A5B C 1001 source : AD9 76) chain C residue 646 type sequence K description binding site for residue A5B C 1001 source : AD9 77) chain C residue 694 type sequence Y description binding site for residue A5B C 1001 source : AD9 78) chain C residue 695 type sequence M description binding site for residue A5B C 1001 source : AD9 79) chain C residue 696 type sequence E description binding site for residue A5B C 1001 source : AD9 80) chain C residue 698 type sequence G description binding site for residue A5B C 1001 source : AD9 81) chain C residue 702 type sequence K description binding site for residue A5B C 1001 source : AD9 82) chain C residue 743 type sequence R description binding site for residue A5B C 1001 source : AD9 83) chain C residue 744 type sequence N description binding site for residue A5B C 1001 source : AD9 84) chain C residue 746 type sequence L description binding site for residue A5B C 1001 source : AD9 85) chain C residue 756 type sequence S description binding site for residue A5B C 1001 source : AD9 86) chain C residue 604 type sequence F description binding site for residue EDO C 1002 source : AE1 87) chain C residue 605 type sequence T description binding site for residue EDO C 1002 source : AE1 88) chain C residue 606 type sequence T description binding site for residue EDO C 1002 source : AE1 89) chain C residue 668 type sequence G description binding site for residue EDO C 1002 source : AE1 90) chain C residue 678 type sequence L description binding site for residue EDO C 1002 source : AE1 91) chain C residue 679 type sequence E description binding site for residue EDO C 1002 source : AE1 92) chain C residue 680 type sequence G description binding site for residue EDO C 1002 source : AE1 93) chain C residue 617 type sequence K description binding site for residue EDO C 1003 source : AE2 94) chain C residue 619 type sequence I description binding site for residue EDO C 1003 source : AE2 95) chain C residue 694 type sequence Y description binding site for residue EDO C 1003 source : AE2 96) chain C residue 738 type sequence R description binding site for residue EDO C 1004 source : AE3 97) chain C residue 731 type sequence A description binding site for residue EDO C 1005 source : AE4 98) chain C residue 863 type sequence K description binding site for residue EDO C 1005 source : AE4 99) chain C residue 864 type sequence F description binding site for residue EDO C 1005 source : AE4 100) chain C residue 865 type sequence A description binding site for residue EDO C 1005 source : AE4 101) chain A residue 888 type sequence D description binding site for residue EDO C 1006 source : AE5 102) chain C residue 852 type sequence Q description binding site for residue EDO C 1006 source : AE5 103) chain C residue 860 type sequence R description binding site for residue EDO C 1006 source : AE5 104) chain A residue 735 type MOD_RES sequence Y description Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q03145 source Swiss-Prot : SWS_FT_FI5 105) chain B residue 735 type MOD_RES sequence Y description Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q03145 source Swiss-Prot : SWS_FT_FI5 106) chain C residue 735 type MOD_RES sequence Y description Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q03145 source Swiss-Prot : SWS_FT_FI5 107) chain A residue 869 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI7 108) chain B residue 869 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI7 109) chain C residue 869 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI7 110) chain A residue 619-646 type prosite sequence IGAGEFGEVYKGMLKTKEVPVAIK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGAGEFGEVYkGmlktssgkkevp......VAIK source prosite : PS00107 111) chain A residue 735-747 type prosite sequence YVHRDLAARNILV description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. YVHrDLAARNILV source prosite : PS00109 112) chain A residue 739 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028 source Swiss-Prot : SWS_FT_FI1 113) chain B residue 739 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028 source Swiss-Prot : SWS_FT_FI1 114) chain C residue 739 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028 source Swiss-Prot : SWS_FT_FI1 115) chain A residue 619 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 116) chain A residue 646 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 117) chain B residue 619 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 118) chain B residue 646 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 119) chain C residue 619 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 120) chain C residue 646 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 121) chain A residue 628 type MOD_RES sequence Y description Phosphotyrosine => ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI3 122) chain B residue 628 type MOD_RES sequence Y description Phosphotyrosine => ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI3 123) chain C residue 628 type MOD_RES sequence Y description Phosphotyrosine => ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI3 124) chain A residue 647 type MOD_RES sequence T description Phosphothreonine => ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI4 125) chain B residue 647 type MOD_RES sequence T description Phosphothreonine => ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI4 126) chain C residue 647 type MOD_RES sequence T description Phosphothreonine => ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195 source Swiss-Prot : SWS_FT_FI4

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