6YD3

X-ray structure of furin in complex with the canavanine derived inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba

This is a non-PDB format compatible entry.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0006508	biological_process	proteolysis
A	0008236	molecular_function	serine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue CA A 601

Chain	Residue
A	ASP174
A	ASP179
A	ASP181
A	HOH788
A	HOH896
A	HOH1060

---

site_id	AC2
Number of Residues	6
Details	binding site for residue CA A 602

Chain	Residue
A	ASN208
A	VAL210
A	GLY212
A	ASP115
A	ASP162
A	VAL205

---

site_id	AC3
Number of Residues	6
Details	binding site for residue CA A 603

Chain	Residue
A	ASP258
A	ASP301
A	GLU331
A	HOH760
A	HOH811
A	HOH893

---

site_id	AC4
Number of Residues	4
Details	binding site for residue NA A 604

Chain	Residue
A	THR309
A	SER311
A	THR314
A	HOH780

---

site_id	AC5
Number of Residues	7
Details	binding site for residue NA A 605

Chain	Residue
A	SER279
A	GLY284
A	HOH755
A	HOH804
A	HOH871
A	HOH1067
A	HOH1086

---

site_id	AC6
Number of Residues	4
Details	binding site for residue NA A 606

Chain	Residue
A	SER544
A	SER544
A	HOH844
A	HOH844

---

site_id	AC7
Number of Residues	3
Details	binding site for residue CL A 607

Chain	Residue
A	ARG276
A	LYS449
A	TYR571

---

site_id	AC8
Number of Residues	4
Details	binding site for residue PO4 A 608

Chain	Residue
A	PHE118
A	PRO119
A	GLN121
A	SER125

---

site_id	AC9
Number of Residues	5
Details	binding site for residue PO4 A 609

Chain	Residue
A	VAL326
A	GLN346
A	ASN347
A	ALA408
A	ASN409

---

site_id	AD1
Number of Residues	6
Details	binding site for residue DMS A 610

Chain	Residue
A	VAL263
A	ASP526
A	GLY527
A	PHE528
A	ASN529
A	HOH726

---

site_id	AD2
Number of Residues	18
Details	binding site for residues 2UE A 611 and ON8 A 612

Chain	Residue
A	VAL231
A	THR232
A	ASP233
A	GLU236
A	GLY255
A	PRO256
A	GLU257
A	ASP264
A	GLY265
A	TYR308
611	TBG2003
A	HOH710
A	HOH714
A	HOH748
A	HOH789
A	HOH945
A	HOH985
A	HOH1087

---

site_id	AD3
Number of Residues	18
Details	binding site for residues 2UE A 611 and ON8 A 612

Chain	Residue
A	VAL231
A	THR232
A	ASP233
A	GLU236
A	GLY255
A	PRO256
A	GLU257
A	ASP264
A	GLY265
A	TYR308
611	TBG2003
A	HOH710
A	HOH714
A	HOH748
A	HOH789
A	HOH945
A	HOH985
A	HOH1087

---

site_id	AD4
Number of Residues	12
Details	binding site for residues ON8 A 612 and TBG A 613

Chain	Residue
A	VAL231
A	GLU236
A	TRP254
A	GLY255
A	PRO256
A	ASP264
A	GLY265
A	TYR308
611	3U02001
611	LYS2004
611	00S2005
A	HOH945

---

site_id	AD5
Number of Residues	9
Details	binding site for Di-peptide TBG A 613 and LYS A 614

Chain	Residue
A	ASP154
A	ASP191
A	ASN192
A	TRP254
A	GLY255
611	GGB2002
611	00S2005
A	HOH743
A	HOH918

---

site_id	AD6
Number of Residues	17
Details	binding site for Di-peptide LYS A 614 and 00S A 615

Chain	Residue
A	ASP154
A	ASP191
A	ASN192
A	SER253
A	TRP254
A	GLY255
A	PRO256
A	ASP258
A	ALA292
A	ASN295
A	ASP306
A	THR309
A	THR367
A	SER368
611	TBG2003
A	HOH743
A	HOH918

---

Functional Information from PROSITE/UniProt

site_id	PS00136
Number of Residues	12
Details	SUBTILASE_ASP Serine proteases, subtilase family, aspartic acid active site. VSILDDGIeknH

Chain	Residue	Details
A	VAL149-HIS160

---

site_id	PS00137
Number of Residues	11
Details	SUBTILASE_HIS Serine proteases, subtilase family, histidine active site. HGTrCAGeVAA

Chain	Residue	Details
A	HIS194-ALA204

---

site_id	PS00138
Number of Residues	11
Details	SUBTILASE_SER Serine proteases, subtilase family, serine active site. GTSaSaPlAAG

Chain	Residue	Details
A	GLY366-GLY376

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: Charge relay system => ECO:0000255|PROSITE-ProRule:PRU01240

Chain	Residue	Details
A	ASP153
A	HIS194
A	SER368

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265, ECO:0007744|PDB:4OMC, ECO:0007744|PDB:4OMD, ECO:0007744|PDB:4RYD

Chain	Residue	Details
A	ASP115
A	ASP258
A	ASP301
A	GLU331
A	ASP162
A	ASP174
A	ASP179
A	ASP181
A	VAL205
A	ASN208
A	VAL210
A	GLY212

---

site_id	SWS_FT_FI3
Number of Residues	9
Details	BINDING: BINDING => ECO:0000305|PubMed:24666235, ECO:0000305|PubMed:25974265, ECO:0007744|PDB:4OMC, ECO:0007744|PDB:4OMD, ECO:0007744|PDB:4RYD

Chain	Residue	Details
A	ASP154
A	ASP191
A	GLU236
A	SER253
A	ASP264
A	ALA292
A	ASP306
A	TYR308
A	SER368

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN387
A	ASN440
A	ASN553

---