1XN2

New substrate binding pockets for beta-secretase.

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
D	0004190	molecular_function	aspartic-type endopeptidase activity
D	0006508	biological_process	proteolysis
D	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	30
Details	BINDING SITE FOR CHAIN E OF OM03-4

Chain	Residue
A	SER10
A	ILE110
A	ASN111
A	GLU125
A	ARG128
A	TRP197
A	TYR198
A	ASP228
A	GLY230
A	THR231
A	THR232
A	GLY11
A	ARG235
A	GLU265
A	ARG307
A	LYS321
A	HOH404
A	HOH520
A	HOH549
A	HOH554
C	VAL312
E	HOH14
A	GLN12
E	HOH15
A	ASP32
A	GLY34
A	PRO70
A	TYR71
A	THR72
A	GLN73

---

site_id	AC2
Number of Residues	30
Details	BINDING SITE FOR CHAIN F OF OM03-4

Chain	Residue
B	SER10
B	GLY11
B	GLN12
B	LEU30
B	ASP32
B	GLY34
B	PRO70
B	TYR71
B	THR72
B	GLN73
B	ILE110
B	GLU125
B	ARG128
B	TRP197
B	TYR198
B	ASP228
B	GLY230
B	THR231
B	THR232
B	ARG235
B	GLU265
B	LEU267
B	ARG307
B	LYS321
B	HOH399
B	HOH406
B	HOH413
B	HOH579
F	HOH188
F	HOH719

---

site_id	AC3
Number of Residues	26
Details	BINDING SITE FOR CHAIN G OF OM03-4

Chain	Residue
A	LYS107
C	GLY11
C	GLN12
C	ASP32
C	GLY34
C	PRO70
C	TYR71
C	THR72
C	GLN73
C	ILE110
C	GLU125
C	ARG128
C	TRP197
C	TYR198
C	ASP228
C	GLY230
C	THR231
C	THR232
C	ARG235
C	GLU265
C	ARG307
C	LYS321
C	HOH389
C	HOH407
C	HOH489
G	HOH33

---

site_id	AC4
Number of Residues	32
Details	BINDING SITE FOR CHAIN H OF OM03-4

Chain	Residue
D	ARG128
D	TRP197
D	TYR198
D	ASP228
D	GLY230
D	THR231
D	THR232
D	ASN233
D	ARG235
D	GLU265
D	LEU267
D	ARG307
D	LYS321
D	HOH431
D	HOH446
D	HOH510
H	HOH43
H	HOH513
H	HOH580
D	SER10
D	GLY11
D	GLN12
D	LEU30
D	ASP32
D	GLY34
D	SER35
D	PRO70
D	TYR71
D	THR72
D	GLN73
D	ILE110
D	GLU125

---

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	1364
Details	Domain: {"description":"Peptidase A1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01103","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	28
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_FI4
Number of Residues	16
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	3
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	ASP228
B	SER35
B	ASP32

---

site_id	CSA11
Number of Residues	3
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	ASP228
C	SER35
C	ASP32

---

site_id	CSA12
Number of Residues	3
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
D	ASP228
D	SER35
D	ASP32

---

site_id	CSA13
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	CSA14
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	CSA15
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	CSA16
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
D	ASP228
D	SER35
D	TYR71
D	ASP32

---

site_id	CSA17
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	CSA18
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	CSA19
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	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	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
D	THR231
D	ASP228
D	ASP32
D	THR33

---

site_id	CSA21
Number of Residues	2
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
A	ASP228
A	ASP32

---

site_id	CSA22
Number of Residues	2
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
B	ASP228
B	ASP32

---

site_id	CSA23
Number of Residues	2
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
C	ASP228
C	ASP32

---

site_id	CSA24
Number of Residues	2
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
D	ASP228
D	ASP32

---

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
D	THR231
D	ASP228
D	SER35
D	ASP32

---

site_id	CSA5
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	CSA6
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	CSA7
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	CSA8
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
D	ASP228
D	SER229
D	ASP32
D	THR33

---

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

Chain	Residue	Details
A	ASP228
A	SER35
A	ASP32

---