eF-site ID 6chh-B PDB Code 6chh Chain B 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 B:  SSGLVPRGSMESGFTSKDTYLSHFNPRDYLEKYYKHSAES QILKHLLKNLFKIFCLDGVKGDLLIDIGSGPTIYQLLSAC ESFKEIVVTDYSDQNLQELEKWLKAAPAAFDWSPVVTYVC DLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLP PADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVI MDALKSSYYMIGEQKFSSLPLGREAVEAAVKEAGYTIEWF EVISQSYSSTMANNEGLFSLVARKLSR Description Functional site 1) chain B residue 248 type sequence N description binding site for residue EDO B 301 source : AC2 2) chain B residue -1 type sequence G description binding site for residue EDO B 302 source : AC3 3) chain B residue 1 type sequence M description binding site for residue EDO B 302 source : AC3 4) chain B residue 2 type sequence E description binding site for residue EDO B 302 source : AC3 5) chain B residue 11 type sequence Y description binding site for residue F0P B 303 source : AC4 6) chain B residue 20 type sequence Y description binding site for residue F0P B 303 source : AC4 7) chain B residue 24 type sequence Y description binding site for residue F0P B 303 source : AC4 8) chain B residue 25 type sequence Y description binding site for residue F0P B 303 source : AC4 9) chain B residue 63 type sequence G description binding site for residue F0P B 303 source : AC4 10) chain B residue 64 type sequence S description binding site for residue F0P B 303 source : AC4 11) chain B residue 65 type sequence G description binding site for residue F0P B 303 source : AC4 12) chain B residue 67 type sequence T description binding site for residue F0P B 303 source : AC4 13) chain B residue 69 type sequence Y description binding site for residue F0P B 303 source : AC4 14) chain B residue 85 type sequence D description binding site for residue F0P B 303 source : AC4 15) chain B residue 86 type sequence Y description binding site for residue F0P B 303 source : AC4 16) chain B residue 90 type sequence N description binding site for residue F0P B 303 source : AC4 17) chain B residue 141 type sequence C description binding site for residue F0P B 303 source : AC4 18) chain B residue 142 type sequence D description binding site for residue F0P B 303 source : AC4 19) chain B residue 143 type sequence V description binding site for residue F0P B 303 source : AC4 20) chain B residue 163 type sequence T description binding site for residue F0P B 303 source : AC4 21) chain B residue 164 type sequence L description binding site for residue F0P B 303 source : AC4 22) chain B residue 165 type sequence C description binding site for residue F0P B 303 source : AC4 23) chain B residue 167 type sequence D description binding site for residue F0P B 303 source : AC4 24) chain B residue 169 type sequence A description binding site for residue F0P B 303 source : AC4 25) chain B residue 201 type sequence S description binding site for residue F0P B 303 source : AC4 26) chain B residue 204 type sequence Y description binding site for residue F0P B 303 source : AC4 27) chain B residue 213 type sequence S description binding site for residue F0P B 303 source : AC4 28) chain B residue 25 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 29) chain B residue 63 type BINDING sequence G description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 30) chain B residue 69 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 31) chain B residue 85 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 32) chain B residue 90 type BINDING sequence N description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 33) chain B residue 142 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 34) chain B residue 163 type BINDING sequence T description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 35) chain B residue 20 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 source Swiss-Prot : SWS_FT_FI1 36) chain B residue 197 type BINDING sequence D description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 37) chain B residue 213 type BINDING sequence S description BINDING => ECO:0000269|PubMed:21823666 source Swiss-Prot : SWS_FT_FI2 38) chain B residue 18 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 39) chain B residue 132 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 40) chain B residue 181 type MOD_RES sequence R description Citrulline; alternate => ECO:0000269|PubMed:30044909 source Swiss-Prot : SWS_FT_FI3 41) chain B residue 39 type MOD_RES sequence K description N6-acetyllysine => ECO:0007744|PubMed:19608861 source Swiss-Prot : SWS_FT_FI4

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