Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3CKP

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	2
Details	BINDING SITE FOR RESIDUE CL C 604

Chain	Residue
C	GLU1
C	MET2

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 607

Chain	Residue
A	LYS75
A	GLU77

site_id	AC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE 012 A 501

Chain	Residue
A	PRO70
A	TYR71
A	THR72
A	PHE108
A	ILE110
A	ARG128
A	TYR198
A	ASP228
A	SER229
A	GLY230
A	THR231
A	THR232
A	HOH679
A	GLN12
A	GLY13
A	ASP32
A	GLY34
A	SER35

site_id	AC4
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 012 B 502

Chain	Residue
B	GLN12
B	GLY13
B	ASP32
B	GLY34
B	PRO70
B	TYR71
B	THR72
B	PHE108
B	TRP115
B	ASP228
B	GLY230
B	THR231
B	THR232
B	HOH613

site_id	AC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 012 C 503

Chain	Residue
C	GLY11
C	GLN12
C	GLY13
C	LEU30
C	ASP32
C	GLY34
C	PRO70
C	TYR71
C	THR72
C	PHE108
C	ILE110
C	TYR198
C	SER229
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	ACT_SITE: ACT_SITE => ECO:0000255\|PROSITE-ProRule:PRU10094

Chain	Residue	Details
A	ASP32
A	ASP228
B	ASP32
B	ASP228
C	ASP32
C	ASP228

site_id	SWS_FT_FI2
Number of Residues	21
Details	MOD_RES: N6-acetyllysine => ECO:0000269\|PubMed:17425515, ECO:0000269\|PubMed:19011241

Chain	Residue	Details
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
A	LYS218
A	LYS224
A	LYS238
A	LYS239
A	LYS246
B	LYS65
B	LYS214

site_id	SWS_FT_FI3
Number of Residues	12
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN92
C	ASN111
C	ASN162
C	ASN293
A	ASN111
A	ASN162
A	ASN293
B	ASN92
B	ASN111
B	ASN162
B	ASN293
C	ASN92

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

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)