eF-site ID 2p4j-B
PDB Code 2p4j
Chain B

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Title Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3
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 32
type ACT_SITE
sequence D
description ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
source Swiss-Prot : SWS_FT_FI1

2) chain B
residue 228
type ACT_SITE
sequence D
description ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
source Swiss-Prot : SWS_FT_FI1

3) 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

4) 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

5) 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

6) 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

7) 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

8) 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

9) 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

10) chain B
residue 92
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI3

11) chain B
residue 111
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI3

12) chain B
residue 162
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI3

13) chain B
residue 293
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI3


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