3TPP

Crystal structure of BACE1 complexed with an 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

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE 5HA A 999

Chain	Residue
A	GLY11
A	GLN73
A	PHE108
A	TRP115
A	TYR198
A	ILE226
A	ASP228
A	SER229
A	GLY230
A	THR231
A	THR232
A	GLN12
A	ASN233
A	ARG235
A	ARG307
A	SER325
A	ALA335
A	HOH640
A	GLY13
A	LEU30
A	ASP32
A	GLY34
A	SER35
A	TYR71
A	THR72

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 394

Chain	Residue
A	SER22
A	PRO23
A	PRO91
A	ASN92

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 395

Chain	Residue
A	LEU377
A	HOH613

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 396

Chain	Residue
A	VAL93
A	THR94
A	URE407
A	HOH531
A	HOH672

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 397

Chain	Residue
A	URE402

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 398

Chain	Residue
A	GLY178
A	ILE179

---

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 399

Chain	Residue
A	GLY74

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 400

Chain	Residue
A	ARG61
A	THR82

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE URE A 402

Chain	Residue
A	ARG61
A	ASP62
A	CL397

---

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE URE A 403

Chain	Residue
A	ASP62
A	ARG64
A	LEU213
A	LYS214
A	MET215
A	HOH482
A	HOH529
A	HOH620

---

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE URE A 404

Chain	Residue
A	VAL67
A	TYR68
A	ARG128
A	PRO129
A	TRP189
A	HOH528
A	HOH654
A	HOH725

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE URE A 405

Chain	Residue
A	HIS45
A	PHE47
A	SER105
A	LYS107
A	PHE108
A	PHE109
A	HOH639

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE URE A 406

Chain	Residue
A	ASN28
A	HIS49
A	ARG50
A	GLU116
A	HOH513
A	HOH688

---

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE URE A 407

Chain	Residue
A	LEU84
A	THR94
A	ARG96
A	GLN143
A	CL396
A	HOH526
A	HOH531
A	HOH709

---

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE URE A 408

Chain	Residue
A	THR26
A	PRO88
A	PRO88
A	HIS89
A	HOH455
A	HOH571
A	HOH674
A	HOH674

---

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE URE A 409

Chain	Residue
A	PHE-1
A	SER22
A	SER58
A	PRO147
A	GLY177
A	HOH524

---

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE URE A 410

Chain	Residue
A	SER247
A	ALA250
A	ALA251
A	ILE208
A	ASN209
A	GLN211

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE URE A 411

Chain	Residue
A	ASN209
A	ALA251
A	ASN278
A	ILE279
A	PHE280
A	ARG366

---

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE URE A 412

Chain	Residue
A	THR292
A	ASN293
A	ASP378
A	MET379
A	GLU380
A	HOH683

---

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 413

Chain	Residue
A	TYR51
A	GLN53
A	GLN55
A	LYS218
A	HOH685
A	HOH695

---

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 414

Chain	Residue
A	ARG235
A	SER328
A	HOH628
A	HOH696
A	HOH722

---

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	2
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	7
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	3
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---