eF-site ID 4wuy-A PDB Code 4wuy Chain A click to enlarge Title Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor Classification Transferase/transferase inhibitor Compound N-lysine methyltransferase SMYD2 Source Homo sapiens (Human) (SMYD2_HUMAN) Sequence A:  GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLT VNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWP MHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTP SEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHL GFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVAL MNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLL YPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKAEA IRDMVRYARNVIEEFRELLEICELSQEKMSSVFEDSNVYM LHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSL NVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKD HPYISEIKQEIESH Description Functional site 1) chain A residue 141 type sequence L description binding site for residue 3UJ A 501 source : AC1 2) chain A residue 145 type sequence K description binding site for residue 3UJ A 501 source : AC1 3) chain A residue 177 type sequence A description binding site for residue 3UJ A 501 source : AC1 4) chain A residue 180 type sequence N description binding site for residue 3UJ A 501 source : AC1 5) chain A residue 181 type sequence C description binding site for residue 3UJ A 501 source : AC1 6) chain A residue 182 type sequence N description binding site for residue 3UJ A 501 source : AC1 7) chain A residue 183 type sequence G description binding site for residue 3UJ A 501 source : AC1 8) chain A residue 184 type sequence F description binding site for residue 3UJ A 501 source : AC1 9) chain A residue 185 type sequence T description binding site for residue 3UJ A 501 source : AC1 10) chain A residue 240 type sequence Y description binding site for residue 3UJ A 501 source : AC1 11) chain A residue 257 type sequence S description binding site for residue 3UJ A 501 source : AC1 12) chain A residue 258 type sequence Y description binding site for residue 3UJ A 501 source : AC1 13) chain A residue 259 type sequence F description binding site for residue 3UJ A 501 source : AC1 14) chain A residue 16 type sequence G description binding site for residue SAH A 502 source : AC2 15) chain A residue 17 type sequence K description binding site for residue SAH A 502 source : AC2 16) chain A residue 19 type sequence R description binding site for residue SAH A 502 source : AC2 17) chain A residue 137 type sequence H description binding site for residue SAH A 502 source : AC2 18) chain A residue 181 type sequence C description binding site for residue SAH A 502 source : AC2 19) chain A residue 203 type sequence A description binding site for residue SAH A 502 source : AC2 20) chain A residue 204 type sequence L description binding site for residue SAH A 502 source : AC2 21) chain A residue 206 type sequence N description binding site for residue SAH A 502 source : AC2 22) chain A residue 207 type sequence H description binding site for residue SAH A 502 source : AC2 23) chain A residue 240 type sequence Y description binding site for residue SAH A 502 source : AC2 24) chain A residue 258 type sequence Y description binding site for residue SAH A 502 source : AC2 25) chain A residue 260 type sequence F description binding site for residue SAH A 502 source : AC2 26) chain A residue 76 type sequence V description binding site for residue GOL A 503 source : AC3 27) chain A residue 77 type sequence E description binding site for residue GOL A 503 source : AC3 28) chain A residue 140 type sequence K description binding site for residue GOL A 503 source : AC3 29) chain A residue 259 type sequence F description binding site for residue GOL A 503 source : AC3 30) chain A residue 38 type sequence A description binding site for residue GOL A 504 source : AC4 31) chain A residue 39 type sequence Y description binding site for residue GOL A 504 source : AC4 32) chain A residue 41 type sequence Y description binding site for residue GOL A 504 source : AC4 33) chain A residue 115 type sequence K description binding site for residue GOL A 504 source : AC4 34) chain A residue 243 type sequence L description binding site for residue GOL A 505 source : AC5 35) chain A residue 250 type sequence R description binding site for residue GOL A 505 source : AC5 36) chain A residue 272 type sequence K description binding site for residue GOL A 505 source : AC5 37) chain A residue 276 type sequence K description binding site for residue GOL A 505 source : AC5 38) chain A residue 373 type sequence H description binding site for residue GOL A 505 source : AC5 39) chain A residue 374 type sequence Y description binding site for residue GOL A 505 source : AC5 40) chain A residue 375 type sequence P description binding site for residue GOL A 505 source : AC5 41) chain A residue 65 type sequence C description binding site for residue ZN A 506 source : AC6 42) chain A residue 68 type sequence C description binding site for residue ZN A 506 source : AC6 43) chain A residue 86 type sequence H description binding site for residue ZN A 506 source : AC6 44) chain A residue 90 type sequence C description binding site for residue ZN A 506 source : AC6 45) chain A residue 209 type sequence C description binding site for residue ZN A 507 source : AC7 46) chain A residue 262 type sequence C description binding site for residue ZN A 507 source : AC7 47) chain A residue 264 type sequence C description binding site for residue ZN A 507 source : AC7 48) chain A residue 267 type sequence C description binding site for residue ZN A 507 source : AC7 49) chain A residue 52 type sequence C description binding site for residue ZN A 508 source : AC8 50) chain A residue 55 type sequence C description binding site for residue ZN A 508 source : AC8 51) chain A residue 74 type sequence C description binding site for residue ZN A 508 source : AC8 52) chain A residue 78 type sequence C description binding site for residue ZN A 508 source : AC8 53) chain A residue 210 type sequence C description binding site for residue ZN A 509 source : AC9 54) chain A residue 266 type sequence E description binding site for residue ZN A 509 source : AC9 55) chain A residue 52-90 type ZN_FING sequence CEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLEC description MYND-type => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI1 56) chain A residue 17 type BINDING sequence K description source Swiss-Prot : SWS_FT_FI2 57) chain A residue 206 type BINDING sequence N description source Swiss-Prot : SWS_FT_FI2 58) chain A residue 258 type BINDING sequence Y description source Swiss-Prot : SWS_FT_FI2 59) chain A residue 51-90 type prosite sequence HCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLEC description ZF_MYND_1 Zinc finger MYND-type signature. Hcey.Cftrkeglsk........CgrCkqafYCnveCqkedwpm..Hkle.C source prosite : PS01360 60) chain A residue 52 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI3 61) chain A residue 55 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI3 62) chain A residue 65 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI3 63) chain A residue 68 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI3 64) chain A residue 74 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI3 65) chain A residue 78 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI3 66) chain A residue 86 type BINDING sequence H description BINDING => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI3 67) chain A residue 90 type BINDING sequence C description BINDING => ECO:0000255|PROSITE-ProRule:PRU00134 source Swiss-Prot : SWS_FT_FI3 68) chain A residue 137 type BINDING sequence H description BINDING => ECO:0000255|PROSITE-ProRule:PRU00190, ECO:0000269|PubMed:21724641 source Swiss-Prot : SWS_FT_FI4

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