eF-site ID 2vkm-B PDB Code 2vkm Chain B click to enlarge Title Crystal structure of GRL-8234 bound to BACE (Beta-secretase) Classification HYDROLASE Compound BETA-SECRETASE 1 Source Homo sapiens (Human) (BACE1_HUMAN) Sequence B:  GSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSS NFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKW EGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWE GILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCG AGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRRE WYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRL PKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTP WNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQ DDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAV SACHVHDEFRTAAVEGPFVTLDMEDCGYN Description Functional site 1) chain B residue 12 type sequence Q description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 2) chain B residue 13 type sequence G description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 3) chain B residue 30 type sequence L description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 4) chain B residue 32 type sequence D description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 5) chain B residue 34 type sequence G description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 6) chain B residue 35 type sequence S description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 7) chain B residue 69 type sequence V description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 8) chain B residue 71 type sequence Y description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 9) chain B residue 72 type sequence T description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 10) chain B residue 73 type sequence Q description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 11) chain B residue 108 type sequence F description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 12) chain B residue 115 type sequence W description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 13) chain B residue 228 type sequence D description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 14) chain B residue 229 type sequence S description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 15) chain B residue 230 type sequence G description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 16) chain B residue 231 type sequence T description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 17) chain B residue 232 type sequence T description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 18) chain B residue 233 type sequence N description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 19) chain B residue 235 type sequence R description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 20) chain B residue 325 type sequence S description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 21) chain B residue 335 type sequence A description BINDING SITE FOR RESIDUE BSD B1386 source : AC2 22) chain B residue 92 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 23) chain B residue 111 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 24) chain B residue 162 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 25) chain B residue 293 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 26) chain B residue 32 type ACT_SITE sequence D description ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094 source Swiss-Prot : SWS_FT_FI1 27) chain B residue 228 type ACT_SITE sequence D description ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094 source Swiss-Prot : SWS_FT_FI1 28) chain B residue 218 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241 source Swiss-Prot : SWS_FT_FI2 29) chain B residue 224 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241 source Swiss-Prot : SWS_FT_FI2 30) chain B residue 238 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241 source Swiss-Prot : SWS_FT_FI2 31) chain B residue 239 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241 source Swiss-Prot : SWS_FT_FI2 32) chain B residue 246 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241 source Swiss-Prot : SWS_FT_FI2 33) chain B residue 65 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241 source Swiss-Prot : SWS_FT_FI2 34) chain B residue 214 type MOD_RES sequence K description N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241 source Swiss-Prot : SWS_FT_FI2

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