eF-site ID 6chh-ABCD PDB Code 6chh Chain A, B, C, D click to enlarge Title Structure of human NNMT in complex with bisubstrate inhibitor MS2756 Classification TRANSFERASE/TRANSFERASE INHIBITOR Compound Nicotinamide N-methyltransferase Source (NNMT_HUMAN) Sequence A:  SSGLVPRGSMESGFTSKDTYLSHFNPRDYLEKYYKSRHSA ESQILKHLLKNLFKIFCLDGVKGDLLIDIGSGPTIYQLLS ACESFKEIVVTDYSDQNLQELEKWLKAAPAAFDWSPVVTY VCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVP LPPADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFL VIMDALKSSYYMIGEQKFSSLPLGREAVEAAVKEAGYTIE WFEVISQSYSSTMANNEGLFSLVARKLSR B:  SSGLVPRGSMESGFTSKDTYLSHFNPRDYLEKYYKHSAES QILKHLLKNLFKIFCLDGVKGDLLIDIGSGPTIYQLLSAC ESFKEIVVTDYSDQNLQELEKWLKAAPAAFDWSPVVTYVC DLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLP PADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVI MDALKSSYYMIGEQKFSSLPLGREAVEAAVKEAGYTIEWF EVISQSYSSTMANNEGLFSLVARKLSR C:  NPRDYLEKYYKFGHSAESQILKHLLKNLFKIFCLDGVKGD LLIDIGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKW LKAAPAAFDWSPVVTYVCDLEGNRVKGPEKEEKLRQAVKQ VLKCDVTQSQPLGAVPLPPADCVLSTLCLDAACPDLPTYC RALRNLGSLLKPGGFLVIMDALKSSYYMIGEQKFSSLPLG REAVEAAVKEAGYTIEWFEVISQSYSSTMANNEGLFSLVA RKLS D:  NPRDYLEKYYKRHSAESQILKHLLKNLFKIFCLDGVKGDL LIDIGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWL KAAPAAFDWSPVVTYVCDLEGNRVKGPEKEEKLRQAVKQV LKCDVTQSQPLGAVPLPPADCVLSTLCLDAACPDLPTYCR ALRNLGSLLKPGGFLVIMDALKSSYYMIGEQKFSSLPLGR EAVEAAVKEAGYTIEWFEVISQSYSSTMANNEGLFSLVAR KLS Description Functional site 1) chain A residue 11 type sequence Y description binding site for residue F0P A 301 source : AC1 2) chain A residue 20 type sequence Y description binding site for residue F0P A 301 source : AC1 3) chain A residue 25 type sequence Y description binding site for residue F0P A 301 source : AC1 4) chain A residue 63 type sequence G description binding site for residue F0P A 301 source : AC1 5) chain A residue 64 type sequence S description binding site for residue F0P A 301 source : AC1 6) chain A residue 65 type sequence G description binding site for residue F0P A 301 source : AC1 7) chain A residue 67 type sequence T description binding site for residue F0P A 301 source : AC1 8) chain A residue 69 type sequence Y description binding site for residue F0P A 301 source : AC1 9) chain A residue 70 type sequence Q description binding site for residue F0P A 301 source : AC1 10) chain A residue 85 type sequence D description binding site for residue F0P A 301 source : AC1 11) chain A residue 86 type sequence Y description binding site for residue F0P A 301 source : AC1 12) chain A residue 90 type sequence N description binding site for residue F0P A 301 source : AC1 13) chain A residue 141 type sequence C description binding site for residue F0P A 301 source : AC1 14) chain A residue 142 type sequence D description binding site for residue F0P A 301 source : AC1 15) chain A residue 143 type sequence V description binding site for residue F0P A 301 source : AC1 16) chain A residue 163 type sequence T description binding site for residue F0P A 301 source : AC1 17) chain A residue 164 type sequence L description binding site for residue F0P A 301 source : AC1 18) chain A residue 167 type sequence D description binding site for residue F0P A 301 source : AC1 19) chain A residue 168 type sequence A description binding site for residue F0P A 301 source : AC1 20) chain A residue 169 type sequence A description binding site for residue F0P A 301 source : AC1 21) chain A residue 201 type sequence S description binding site for residue F0P A 301 source : AC1 22) chain A residue 204 type sequence Y description binding site for residue F0P A 301 source : AC1 23) chain A residue 213 type sequence S description binding site for residue F0P A 301 source : AC1 24) chain B residue 248 type sequence N description binding site for residue EDO B 301 source : AC2 25) chain B residue -1 type sequence G description binding site for residue EDO B 302 source : AC3 26) chain B residue 1 type sequence M description binding site for residue EDO B 302 source : AC3 27) chain B residue 2 type sequence E description binding site for residue EDO B 302 source : AC3 28) chain B residue 11 type sequence Y description binding site for residue F0P B 303 source : AC4 29) chain B residue 20 type sequence Y description binding site for residue F0P B 303 source : AC4 30) chain B residue 24 type sequence Y description binding site for residue F0P B 303 source : AC4 31) chain B residue 25 type sequence Y description binding site for residue F0P B 303 source : AC4 32) chain B residue 63 type sequence G description binding site for residue F0P B 303 source : AC4 33) chain B residue 64 type sequence S description binding site for residue F0P B 303 source : AC4 34) chain B residue 65 type sequence G description binding site for residue F0P B 303 source : AC4 35) chain B residue 67 type sequence T description binding site for residue F0P B 303 source : AC4 36) chain B residue 69 type sequence Y description binding site for residue F0P B 303 source : AC4 37) chain B residue 85 type sequence D description binding site for residue F0P B 303 source : AC4 38) chain B residue 86 type sequence Y description binding site for residue F0P B 303 source : AC4 39) chain B residue 90 type sequence N description binding site for residue F0P B 303 source : AC4 40) chain B residue 141 type sequence C description binding site for residue F0P B 303 source : AC4 41) chain B residue 142 type sequence D description binding site for residue F0P B 303 source : AC4 42) chain B residue 143 type sequence V description binding site for residue F0P B 303 source : AC4 43) chain B residue 163 type sequence T description binding site for residue F0P B 303 source : AC4 44) chain B residue 164 type sequence L description binding site for residue F0P B 303 source : AC4 45) chain B residue 165 type sequence C description binding site for residue F0P B 303 source : AC4 46) chain B residue 167 type sequence D description binding site for residue F0P B 303 source : AC4 47) chain B residue 169 type sequence A description binding site for residue F0P B 303 source : AC4 48) chain B residue 201 type sequence S description binding site for residue F0P B 303 source : AC4 49) chain B residue 204 type sequence Y description binding site for residue F0P B 303 source : AC4 50) chain B residue 213 type sequence S description binding site for residue F0P B 303 source : AC4 51) chain C residue 20 type sequence Y description binding site for residue F0P C 301 source : AC5 52) chain C residue 24 type sequence Y description binding site for residue F0P C 301 source : AC5 53) chain C residue 25 type sequence Y description binding site for residue F0P C 301 source : AC5 54) chain C residue 63 type sequence G description binding site for residue F0P C 301 source : AC5 55) chain C residue 64 type sequence S description binding site for residue F0P C 301 source : AC5 56) chain C residue 65 type sequence G description binding site for residue F0P C 301 source : AC5 57) chain C residue 67 type sequence T description binding site for residue F0P C 301 source : AC5 58) chain C residue 69 type sequence Y description binding site for residue F0P C 301 source : AC5 59) chain C residue 70 type sequence Q description binding site for residue F0P C 301 source : AC5 60) chain C residue 85 type sequence D description binding site for residue F0P C 301 source : AC5 61) chain C residue 86 type sequence Y description binding site for residue F0P C 301 source : AC5 62) chain C residue 90 type sequence N description binding site for residue F0P C 301 source : AC5 63) chain C residue 141 type sequence C description binding site for residue F0P C 301 source : AC5 64) chain C residue 142 type sequence D description binding site for residue F0P C 301 source : AC5 65) chain C residue 143 type sequence V description binding site for residue F0P C 301 source : AC5 66) chain C residue 163 type sequence T description binding site for residue F0P C 301 source : AC5 67) chain C residue 164 type sequence L description binding site for residue F0P C 301 source : AC5 68) chain C residue 165 type sequence C description binding site for residue F0P C 301 source : AC5 69) chain C residue 167 type sequence D description binding site for residue F0P C 301 source : AC5 70) chain C residue 169 type sequence A description binding site for residue F0P C 301 source : AC5 71) chain C residue 201 type sequence S description binding site for residue F0P C 301 source : AC5 72) chain C residue 204 type sequence Y description binding site for residue F0P C 301 source : AC5 73) chain C residue 213 type sequence S description binding site for residue F0P C 301 source : AC5 74) chain C residue 242 type sequence Y description binding site for residue F0P C 301 source : AC5 75) chain D residue 20 type sequence Y description binding site for residue F0P D 301 source : AC6 76) chain D residue 24 type sequence Y description binding site for residue F0P D 301 source : AC6 77) chain D residue 25 type sequence Y description binding site for residue F0P D 301 source : AC6 78) chain D residue 63 type sequence G description binding site for residue F0P D 301 source : AC6 79) chain D residue 64 type sequence S description binding site for residue F0P D 301 source : AC6 80) chain D residue 65 type sequence G description binding site for residue F0P D 301 source : AC6 81) chain D residue 67 type sequence T description binding site for residue F0P D 301 source : AC6 82) chain D residue 69 type sequence Y description binding site for residue F0P D 301 source : AC6 83) chain D residue 70 type sequence Q description binding site for residue F0P D 301 source : AC6 84) chain D residue 85 type sequence D description binding site for residue F0P D 301 source : AC6 85) chain D residue 86 type sequence Y description binding site for residue F0P D 301 source : AC6 86) chain D residue 90 type sequence N description binding site for residue F0P D 301 source : AC6 87) chain D residue 141 type sequence C description binding site for residue F0P D 301 source : AC6 88) chain D residue 142 type sequence D description binding site for residue F0P D 301 source : AC6 89) chain D residue 143 type sequence V description binding site for residue F0P D 301 source : AC6 90) chain D residue 163 type sequence T description binding site for residue F0P D 301 source : AC6 91) chain D residue 164 type sequence L description binding site for residue F0P D 301 source : AC6 92) chain D residue 167 type sequence D description binding site for residue F0P D 301 source : AC6 93) chain D residue 169 type sequence A description binding site for residue F0P D 301 source : AC6 94) chain D residue 201 type sequence S description binding site for residue F0P D 301 source : AC6 95) chain D residue 204 type sequence Y description binding site for residue F0P D 301 source : AC6 96) chain D residue 213 type sequence S description binding site for residue F0P D 301 source : AC6 97) chain D residue 242 type sequence Y description binding site for residue F0P D 301 source : AC6 98) chain A residue 59-75 type prosite sequence LIDIGSGPTIYQLLSAC description NNMT_PNMT_TEMT NNMT/PNMT/TEMT family of methyltransferases signature. LIDIGSGPTIYQLLSAC source prosite : PS01100 99) chain C residue 85 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 100) chain C residue 90 type BINDING sequence N description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 101) chain C residue 142 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 102) chain C residue 163 type BINDING sequence T description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 103) chain D residue 20 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 104) chain D residue 25 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 105) chain D residue 63 type BINDING sequence G description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 106) chain D residue 69 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 107) chain D residue 85 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 108) chain D residue 90 type BINDING sequence N description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 109) chain D residue 142 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 110) chain D residue 163 type BINDING sequence T description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 111) chain A residue 90 type BINDING sequence N description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 112) chain A residue 142 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 113) chain A residue 163 type BINDING sequence T description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 114) chain B residue 20 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 115) chain A residue 20 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 116) chain A residue 25 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 117) chain A residue 63 type BINDING sequence G description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 118) chain A residue 69 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 119) chain A residue 85 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 120) chain B residue 25 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 121) chain B residue 63 type BINDING sequence G description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 122) chain B residue 69 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 123) chain B residue 85 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 124) chain B residue 90 type BINDING sequence N description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 125) chain B residue 142 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 126) chain B residue 163 type BINDING sequence T description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 127) chain C residue 20 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 128) chain C residue 25 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 129) chain C residue 63 type BINDING sequence G description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 130) chain C residue 69 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 131) chain C residue 213 type BINDING sequence S description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 132) chain D residue 197 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 133) chain D residue 213 type BINDING sequence S description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 134) chain A residue 197 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 135) chain A residue 213 type BINDING sequence S description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 136) chain B residue 197 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 137) chain B residue 213 type BINDING sequence S description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 138) chain C residue 197 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 139) chain D residue 18 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 140) chain D residue 132 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 141) chain D residue 181 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 142) chain C residue 181 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 143) chain B residue 132 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 144) chain B residue 181 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 145) chain C residue 18 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 146) chain C residue 132 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 147) chain A residue 18 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 148) chain A residue 132 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 149) chain A residue 181 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 150) chain B residue 18 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 151) chain A residue 39 type MOD_RES sequence K description N6-acetyllysine => ECO:0007744|PubMed:19608861 source Swiss-Prot : SWS_FT_FI4 152) chain B residue 39 type MOD_RES sequence K description N6-acetyllysine => ECO:0007744|PubMed:19608861 source Swiss-Prot : SWS_FT_FI4 153) chain C residue 39 type MOD_RES sequence K description N6-acetyllysine => ECO:0007744|PubMed:19608861 source Swiss-Prot : SWS_FT_FI4 154) chain D residue 39 type MOD_RES sequence K description N6-acetyllysine => ECO:0007744|PubMed:19608861 source Swiss-Prot : SWS_FT_FI4

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