eF-site ID 1ake-AB PDB Code 1ake Chain A, B click to enlarge Title STRUCTURE OF THE COMPLEX BETWEEN ADENYLATE KINASE FROM ESCHERICHIA COLI AND THE INHIBITOR AP5A REFINED AT 1.9 ANGSTROMS RESOLUTION: A MODEL FOR A CATALYTIC TRANSITION STATE Classification TRANSFERASE(PHOSPHOTRANSFERASE) Compound ADENYLATE KINASE Source Escherichia coli (strain K12) (KAD_ECOLI) Sequence A:  MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG B:  MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG Description (1)  ADENYLATE KINASE (E.C.2.7.4.3) COMPLEX WITH THE INHIBITOR AP5A Functional site 1) chain A residue 9 type sequence P description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 2) chain A residue 10 type sequence G description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 3) chain A residue 11 type sequence A description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 4) chain A residue 12 type sequence G description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 5) chain A residue 13 type sequence K description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 6) chain A residue 14 type sequence G description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 7) chain A residue 15 type sequence T description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 8) chain A residue 31 type sequence T description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 9) chain A residue 36 type sequence R description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 10) chain A residue 53 type sequence M description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 11) chain A residue 57 type sequence K description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 12) chain A residue 59 type sequence V description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 13) chain A residue 64 type sequence V description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 14) chain A residue 85 type sequence G description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 15) chain A residue 86 type sequence F description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 16) chain A residue 88 type sequence R description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 17) chain A residue 92 type sequence Q description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 18) chain A residue 119 type sequence R description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 19) chain A residue 123 type sequence R description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 20) chain A residue 132 type sequence V description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 21) chain A residue 133 type sequence Y description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 22) chain A residue 134 type sequence H description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 23) chain A residue 137 type sequence F description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 24) chain A residue 156 type sequence R description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 25) chain A residue 167 type sequence R description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 26) chain A residue 200 type sequence K description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 27) chain A residue 201 type sequence P description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 28) chain A residue 202 type sequence V description BINDING SITE FOR RESIDUE AP5 A 215 source : AC1 29) chain B residue 9 type sequence P description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 30) chain B residue 10 type sequence G description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 31) chain B residue 11 type sequence A description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 32) chain B residue 12 type sequence G description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 33) chain B residue 13 type sequence K description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 34) chain B residue 14 type sequence G description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 35) chain B residue 15 type sequence T description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 36) chain B residue 31 type sequence T description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 37) chain B residue 35 type sequence L description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 38) chain B residue 36 type sequence R description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 39) chain B residue 53 type sequence M description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 40) chain B residue 57 type sequence K description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 41) chain B residue 58 type sequence L description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 42) chain B residue 59 type sequence V description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 43) chain B residue 62 type sequence E description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 44) chain B residue 64 type sequence V description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 45) chain B residue 85 type sequence G description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 46) chain B residue 88 type sequence R description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 47) chain B residue 92 type sequence Q description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 48) chain B residue 119 type sequence R description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 49) chain B residue 123 type sequence R description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 50) chain B residue 132 type sequence V description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 51) chain B residue 133 type sequence Y description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 52) chain B residue 134 type sequence H description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 53) chain B residue 137 type sequence F description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 54) chain B residue 156 type sequence R description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 55) chain B residue 158 type sequence D description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 56) chain B residue 167 type sequence R description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 57) chain B residue 200 type sequence K description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 58) chain B residue 202 type sequence V description BINDING SITE FOR RESIDUE AP5 B 215 source : AC2 59) chain A residue 10 type BINDING sequence G description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 60) chain B residue 31 type BINDING sequence T description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 61) chain B residue 36 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 62) chain B residue 57 type BINDING sequence K description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 63) chain B residue 92 type BINDING sequence Q description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 64) chain B residue 123 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 65) chain B residue 156 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 66) chain B residue 200 type BINDING sequence K description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 67) chain A residue 31 type BINDING sequence T description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 68) chain A residue 36 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 69) chain A residue 57 type BINDING sequence K description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 70) chain A residue 92 type BINDING sequence Q description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 71) chain A residue 123 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 72) chain A residue 156 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 73) chain A residue 200 type BINDING sequence K description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 74) chain B residue 10 type BINDING sequence G description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:7937733, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI1 75) chain A residue 85 type BINDING sequence G description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI2 76) chain A residue 167 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI2 77) chain B residue 85 type BINDING sequence G description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI2 78) chain B residue 167 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI2 79) chain A residue 119 type BINDING sequence R description BINDING => ECO:0000269|PubMed:16302237 source Swiss-Prot : SWS_FT_FI3 80) chain B residue 119 type BINDING sequence R description BINDING => ECO:0000269|PubMed:16302237 source Swiss-Prot : SWS_FT_FI3 81) chain A residue 132 type BINDING sequence V description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI4 82) chain B residue 132 type BINDING sequence V description BINDING => ECO:0000255|HAMAP-Rule:MF_00235, ECO:0000269|PubMed:1548697, ECO:0000269|PubMed:16302237, ECO:0000269|PubMed:19805185, ECO:0000269|PubMed:8451239 source Swiss-Prot : SWS_FT_FI4 83) chain A residue 81-92 type prosite sequence FLLDGFPRTIPQ description ADENYLATE_KINASE Adenylate kinase signature. FLLDGFPRtipQ source prosite : PS00113 84) chain A residue 192 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:18723842 source Swiss-Prot : SWS_FT_FI5 85) chain B residue 192 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:18723842 source Swiss-Prot : SWS_FT_FI5

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