3CKR

Crystal structure of BACE-1 in complex with inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
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

Functional Information from PDB Data

site_id	AC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 009 A 501

Chain	Residue
A	GLN12
A	PHE108
A	ILE110
A	ARG128
A	TYR198
A	ASP228
A	GLY230
A	THR231
A	THR232
A	GLY13
A	ASP32
A	GLY34
A	SER35
A	PRO70
A	TYR71
A	THR72
A	GLN73

---

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 009 B 502

Chain	Residue
B	GLY11
B	GLN12
B	GLY13
B	ASP32
B	GLY34
B	TYR71
B	THR72
B	GLN73
B	PHE108
B	ILE110
B	ILE126
B	GLY230
B	THR231
B	THR232
B	ARG235

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 009 C 503

Chain	Residue
C	GLY11
C	GLN12
C	GLY13
C	LEU30
C	ASP32
C	GLY34
C	PRO70
C	TYR71
C	THR72
C	GLN73
C	PHE108
C	ILE110
C	TYR198
C	GLY230
C	THR231
C	THR232

---

Functional Information from PROSITE/UniProt

site_id	PS00141
Number of Residues	12
Details	ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV

Chain	Residue	Details
A	ILE29-VAL40

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	21
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"17425515","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19011241","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	9
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
A	THR231
A	ASP228
A	SER35
A	ASP32

---

site_id	CSA10
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
A	ASP228
A	SER35
A	TYR71
A	ASP32

---

site_id	CSA11
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	ASP228
B	SER35
B	TYR71
B	ASP32

---

site_id	CSA12
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	ASP228
C	SER35
C	TYR71
C	ASP32

---

site_id	CSA13
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
A	THR231
A	ASP228
A	ASP32
A	THR33

---

site_id	CSA14
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	THR231
B	ASP228
B	ASP32
B	THR33

---

site_id	CSA15
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	THR231
C	ASP228
C	ASP32
C	THR33

---

site_id	CSA16
Number of Residues	1
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
A	ASP32

---

site_id	CSA17
Number of Residues	1
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	ASP32

---

site_id	CSA18
Number of Residues	1
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	ASP32

---

site_id	CSA19
Number of Residues	1
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
A	ASP228

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	THR231
B	ASP228
B	SER35
B	ASP32

---

site_id	CSA20
Number of Residues	1
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	ASP228

---

site_id	CSA21
Number of Residues	1
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	ASP228

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	THR231
C	ASP228
C	SER35
C	ASP32

---

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
A	ASP228
A	SER229
A	ASP32
A	THR33

---

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	ASP228
B	SER229
B	ASP32
B	THR33

---

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	ASP228
C	SER229
C	ASP32
C	THR33

---

site_id	CSA7
Number of Residues	3
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
A	ASP228
A	SER35
A	ASP32

---

site_id	CSA8
Number of Residues	3
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	ASP228
B	SER35
B	ASP32

---

site_id	CSA9
Number of Residues	3
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	ASP228
C	SER35
C	ASP32

---