2VKM

Crystal structure of GRL-8234 bound to BACE (Beta-secretase)

GO（遺伝子オントロジー）由来の情報

鎖名	GO（遺伝子オントロジー）id	名前空間	内容
A	0004190	molecular_function	aspartic-type endopeptidase activity
A	0006508	biological_process	proteolysis
A	0016020	cellular_component	membrane
B	0004190	molecular_function	aspartic-type endopeptidase activity
B	0006508	biological_process	proteolysis
B	0016020	cellular_component	membrane
C	0004190	molecular_function	aspartic-type endopeptidase activity
C	0006508	biological_process	proteolysis
C	0016020	cellular_component	membrane
D	0004190	molecular_function	aspartic-type endopeptidase activity
D	0006508	biological_process	proteolysis
D	0016020	cellular_component	membrane

PDBデータベースに由来する情報

site_id	AC1
残基数	22
詳細	BINDING SITE FOR RESIDUE BSD A1386

鎖名	残基
A	GLN12
A	GLN73
A	PHE108
A	TRP115
A	ILE126
A	ASP228
A	SER229
A	GLY230
A	THR231
A	THR232
A	ASN233
A	GLY13
A	ARG235
A	SER325
A	ALA335
A	LEU30
A	ASP32
A	GLY34
A	SER35
A	PRO70
A	TYR71
A	THR72

---

site_id	AC2
残基数	22
詳細	BINDING SITE FOR RESIDUE BSD B1386

鎖名	残基
B	GLN12
B	GLY13
B	LEU30
B	ASP32
B	GLY34
B	SER35
B	VAL69
B	TYR71
B	THR72
B	GLN73
B	PHE108
B	TRP115
B	ASP228
B	SER229
B	GLY230
B	THR231
B	THR232
B	ASN233
B	ARG235
B	SER325
B	ALA335
B	HOH2008

---

site_id	AC3
残基数	26
詳細	BINDING SITE FOR RESIDUE BSD C1386

鎖名	残基
C	GLY11
C	GLN12
C	GLY13
C	ASP32
C	GLY34
C	SER35
C	VAL69
C	PRO70
C	TYR71
C	THR72
C	GLN73
C	PHE108
C	ILE110
C	TRP115
C	ILE118
C	ASP228
C	SER229
C	GLY230
C	THR231
C	THR232
C	ASN233
C	ARG235
C	ARG307
C	SER325
C	ALA335
C	HOH2225

---

site_id	AC4
残基数	28
詳細	BINDING SITE FOR RESIDUE BSD D1386

鎖名	残基
D	GLY11
D	GLN12
D	GLY13
D	LEU30
D	ASP32
D	GLY34
D	SER35
D	VAL69
D	PRO70
D	TYR71
D	THR72
D	GLN73
D	PHE108
D	ILE110
D	TRP115
D	ASP228
D	SER229
D	GLY230
D	THR231
D	THR232
D	ASN233
D	ARG235
D	ARG307
D	SER325
D	ALA335
D	HOH2117
D	HOH2159
D	HOH2180

---

UniProtにおけるモチーフ・データベースPROSITEからの機能情報

site_id	PS00141
残基数	12
詳細	ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV

鎖名	残基	詳細
A	ILE29-VAL40

---

SwissProt/UniProtに記載されている蛋白質分子機能情報

site_id	SWS_FT_FI1
残基数	8
詳細	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094

鎖名	残基	詳細
A	ASP32
A	ASP228
B	ASP32
B	ASP228
C	ASP32
C	ASP228
D	ASP32
D	ASP228

---

site_id	SWS_FT_FI2
残基数	28
詳細	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241

鎖名	残基	詳細
A	LYS65
B	LYS218
B	LYS224
B	LYS238
B	LYS239
B	LYS246
C	LYS65
C	LYS214
C	LYS218
C	LYS224
C	LYS238
A	LYS214
C	LYS239
C	LYS246
D	LYS65
D	LYS214
D	LYS218
D	LYS224
D	LYS238
D	LYS239
D	LYS246
A	LYS218
A	LYS224
A	LYS238
A	LYS239
A	LYS246
B	LYS65
B	LYS214

---

site_id	SWS_FT_FI3
残基数	16
詳細	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

鎖名	残基	詳細
A	ASN92
C	ASN111
C	ASN162
C	ASN293
D	ASN92
D	ASN111
D	ASN162
D	ASN293
A	ASN111
A	ASN162
A	ASN293
B	ASN92
B	ASN111
B	ASN162
B	ASN293
C	ASN92

---