eF-site ID 6hk3-A PDB Code 6hk3 Chain A click to enlarge Title Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 Classification TRANSFERASE Compound Glycogen synthase kinase-3 beta Source (6HK3) Sequence A:  SKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAK LCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRY FFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLP VIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTA VLKLCDFGSAKQLVRGEPNVSXICSRYYRAPELIFGATDY TSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLG TPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAI ALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGR DTPALFNFTTQELSSNPPLATILIPPHARI Description Functional site 1) chain A residue 83 type sequence A description binding site for residue G8B A 401 source : AC1 2) chain A residue 85 type sequence K description binding site for residue G8B A 401 source : AC1 3) chain A residue 110 type sequence V description binding site for residue G8B A 401 source : AC1 4) chain A residue 133 type sequence D description binding site for residue G8B A 401 source : AC1 5) chain A residue 134 type sequence Y description binding site for residue G8B A 401 source : AC1 6) chain A residue 135 type sequence V description binding site for residue G8B A 401 source : AC1 7) chain A residue 136 type sequence P description binding site for residue G8B A 401 source : AC1 8) chain A residue 141 type sequence R description binding site for residue G8B A 401 source : AC1 9) chain A residue 188 type sequence L description binding site for residue G8B A 401 source : AC1 10) chain A residue 200 type sequence D description binding site for residue G8B A 401 source : AC1 11) chain A residue 96 type sequence R description binding site for residue MLI A 402 source : AC2 12) chain A residue 180 type sequence R description binding site for residue MLI A 402 source : AC2 13) chain A residue 205 type sequence K description binding site for residue MLI A 402 source : AC2 14) chain A residue 213 type sequence N description binding site for residue MLI A 402 source : AC2 15) chain A residue 214 type sequence V description binding site for residue MLI A 402 source : AC2 16) chain A residue 56 type sequence Y description binding site for residue GOL A 403 source : AC3 17) chain A residue 59 type sequence T description binding site for residue GOL A 403 source : AC3 18) chain A residue 71 type sequence Y description binding site for residue GOL A 403 source : AC3 19) chain A residue 86 type sequence K description binding site for residue GOL A 403 source : AC3 20) chain A residue 129 type sequence N description binding site for residue GOL A 403 source : AC3 21) chain A residue 140 type sequence Y description binding site for residue GOL A 404 source : AC4 22) chain A residue 141 type sequence R description binding site for residue GOL A 404 source : AC4 23) chain A residue 185 type sequence Q description binding site for residue GOL A 404 source : AC4 24) chain A residue 216 type sequence X description binding site for residue GOL A 405 source : AC5 25) chain A residue 219 type sequence S description binding site for residue GOL A 405 source : AC5 26) chain A residue 220 type sequence R description binding site for residue GOL A 405 source : AC5 27) chain A residue 167 type sequence R description binding site for residue CL A 406 source : AC6 28) chain A residue 366 type sequence E description binding site for residue CL A 406 source : AC6 29) chain A residue 146 type sequence Y description binding site for residue DMS A 407 source : AC7 30) chain A residue 157 type sequence Y description binding site for residue DMS A 407 source : AC7 31) chain A residue 161 type sequence Y description binding site for residue DMS A 407 source : AC7 32) chain A residue 51 type sequence P description binding site for residue DMS B 405 source : AD3 33) chain A residue 62-86 type prosite sequence IGNGSFGVVYQAKLCDSGELVAIKK description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGNGSFGVVYqAklcdsgelv.........AIKK source prosite : PS00107 34) chain A residue 177-189 type prosite sequence ICHRDIKPQNLLL description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IcHrDIKpqNLLL source prosite : PS00108 35) chain A residue 181 type ACT_SITE sequence D description Proton acceptor source Swiss-Prot : SWS_FT_FI1 36) chain A residue 62 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 37) chain A residue 85 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000305|PubMed:17050006 source Swiss-Prot : SWS_FT_FI3 38) chain A residue 216 type MOD_RES sequence X description Phosphotyrosine => ECO:0000269|PubMed:12554650, ECO:0000269|PubMed:25169422 source Swiss-Prot : SWS_FT_FI4

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