Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4RYD

X-ray structure of human furin in complex with the competitive inhibitor para-guanidinomethyl-Phac-R-Tle-R-Amba

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
B	0004252	molecular_function	serine-type endopeptidase activity
B	0006508	biological_process	proteolysis
B	0008236	molecular_function	serine-type peptidase activity
C	0004252	molecular_function	serine-type endopeptidase activity
C	0006508	biological_process	proteolysis
C	0008236	molecular_function	serine-type peptidase activity
D	0004252	molecular_function	serine-type endopeptidase activity
D	0006508	biological_process	proteolysis
D	0008236	molecular_function	serine-type peptidase activity
E	0004252	molecular_function	serine-type endopeptidase activity
E	0006508	biological_process	proteolysis
E	0008236	molecular_function	serine-type peptidase activity
F	0004252	molecular_function	serine-type endopeptidase activity
F	0006508	biological_process	proteolysis
F	0008236	molecular_function	serine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FMT A 601

Chain	Residue
A	ASN295
A	THR365
A	GLY366
A	HOH760
E	ARG298

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FMT A 602

Chain	Residue
B	GLN280
A	TYR313
A	GLN447
A	FMT603
B	ARG276

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT A 603

Chain	Residue
A	PHE275
A	TYR313
A	LYS449
A	TYR571
A	FMT602
B	ARG276

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 604

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

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 605

Chain	Residue
A	ASP258
A	ASP301
A	GLU331
A	HOH756
A	HOH771
A	HOH852

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 606

Chain	Residue
A	ASP174
A	ASP179
A	ASP181
A	HOH729
A	HOH734
A	HOH902

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 607

Chain	Residue
A	THR309
A	SER311
A	THR314
A	HOH784

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT B 601

Chain	Residue
A	ARG276
A	GLN280
B	TYR313
B	GLN447
B	FMT602
B	HOH751

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FMT B 602

Chain	Residue
A	ARG276
B	PHE275
B	TYR313
B	LYS449
B	FMT601

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FMT B 603

Chain	Residue
B	THR365
B	HOH831
D	ARG298

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 604

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

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 605

Chain	Residue
B	ASP258
B	ASP301
B	GLU331
B	HOH716
B	HOH744
B	HOH837

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 606

Chain	Residue
B	ASP174
B	ASP179
B	ASP181
B	HOH772
B	HOH810
B	HOH838

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA B 607

Chain	Residue
B	THR309
B	SER311
B	THR314
B	HOH703

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FMT C 601

Chain	Residue
C	ASN295
C	THR365
C	GLY366
C	HOH875
F	ARG298

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT C 602

Chain	Residue
C	PHE275
C	GLN447
C	FMT603
C	HOH785
D	ARG276
D	GLN280

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT C 603

Chain	Residue
C	PHE275
C	TYR313
C	LYS449
C	TYR571
C	FMT602
D	ARG276

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 604

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

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 605

Chain	Residue
C	GLU331
C	HOH728
C	HOH750
C	HOH791
C	ASP258
C	ASP301

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 606

Chain	Residue
C	ASP174
C	ASP179
C	ASP181
C	HOH800
C	HOH803
C	HOH859

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 607

Chain	Residue
C	THR309
C	SER311
C	THR314
C	HOH721

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT D 601

Chain	Residue
C	ARG276
C	GLN280
D	TYR313
D	GLN447
D	FMT602
D	HOH772

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FMT D 602

Chain	Residue
C	ARG276
D	PHE275
D	TYR313
D	LYS449
D	FMT601

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FMT D 603

Chain	Residue
B	ARG298
D	TRP328
D	THR365
D	GLY366

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 604

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

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 605

Chain	Residue
D	ASP258
D	ASP301
D	GLU331
D	HOH710
D	HOH727
D	HOH832

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 606

Chain	Residue
D	ASP174
D	ASP179
D	ASP181
D	HOH722
D	HOH754
D	HOH833

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA D 607

Chain	Residue
D	THR309
D	SER311
D	THR314
D	HOH723

site_id	DC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FMT E 601

Chain	Residue
E	THR365
E	GLY366
E	HOH912

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FMT E 602

Chain	Residue
E	PHE275
E	TYR313
E	GLN447
E	FMT603
F	ARG276

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT E 603

Chain	Residue
E	PHE275
E	TYR313
E	LYS449
E	TYR571
E	FMT602
F	ARG276

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 604

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

site_id	DC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 605

Chain	Residue
E	ASP258
E	ASP301
E	GLU331
E	HOH720
E	HOH721
E	HOH839

site_id	DC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 606

Chain	Residue
E	ASP174
E	ASP179
E	ASP181
E	HOH840
E	HOH877
E	HOH920

site_id	DC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA E 607

Chain	Residue
E	THR309
E	SER311
E	THR314
E	HOH704

site_id	DC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT F 601

Chain	Residue
E	ARG276
F	TYR313
F	TRP390
F	GLN447
F	FMT602
F	HOH891

site_id	EC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT F 602

Chain	Residue
E	ARG276
F	PHE275
F	TYR313
F	LYS449
F	TYR571
F	FMT601

site_id	EC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FMT F 603

Chain	Residue
C	ARG298
F	ASN295
F	TRP328
F	THR365
F	GLY366
F	HOH863

site_id	EC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA F 604

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

site_id	EC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA F 605

Chain	Residue
F	ASP258
F	ASP301
F	GLU331
F	HOH704
F	HOH722
F	HOH770

site_id	EC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA F 606

Chain	Residue
F	ASP174
F	ASP179
F	ASP181
F	HOH748
F	HOH778
F	HOH819

site_id	EC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA F 607

Chain	Residue
F	THR309
F	SER311
F	THR314
F	HOH716

site_id	EC7
Number of Residues	30
Details	BINDING SITE FOR CHAIN H OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE

Chain	Residue
A	ASP154
A	ASP191
A	ASN192
A	HIS194
A	VAL231
A	THR232
A	ASP233
A	GLU236
A	SER253
A	TRP254
A	GLY255
A	PRO256
A	GLU257
A	ASP258
A	ASP264
A	GLY265
A	ALA267
A	ALA292
A	ASP306
A	TYR308
A	THR309
A	THR367
A	SER368
A	HOH715
A	HOH948
A	HOH987
H	HOH101
H	HOH102
H	HOH103
H	HOH104

site_id	EC8
Number of Residues	28
Details	BINDING SITE FOR CHAIN I OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE

Chain	Residue
B	ASP154
B	ASP191
B	ASN192
B	HIS194
B	VAL231
B	THR232
B	GLU236
B	SER253
B	TRP254
B	GLY255
B	PRO256
B	GLU257
B	ASP258
B	ASP264
B	GLY265
B	ALA292
B	ASP306
B	TYR308
B	THR309
B	THR367
B	SER368
B	HOH701
B	HOH973
B	HOH1022
B	HOH1023
I	HOH101
I	HOH102
I	HOH103

site_id	EC9
Number of Residues	28
Details	BINDING SITE FOR CHAIN J OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE

Chain	Residue
C	ASP154
C	ASP191
C	ASN192
C	HIS194
C	VAL231
C	THR232
C	GLU236
C	SER253
C	TRP254
C	GLY255
C	PRO256
C	GLU257
C	ASP258
C	ASP264
C	GLY265
C	ALA292
C	SER293
C	ASP306
C	TYR308
C	THR309
C	THR367
C	SER368
C	HOH711
J	HOH101
J	HOH102
J	HOH103
J	HOH104
J	HOH105

site_id	FC1
Number of Residues	31
Details	BINDING SITE FOR CHAIN K OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE

Chain	Residue
D	ASP154
D	ASP191
D	ASN192
D	HIS194
D	VAL231
D	THR232
D	ASP233
D	GLU236
D	SER253
D	TRP254
D	GLY255
D	PRO256
D	GLU257
D	ASP258
D	ASP264
D	GLY265
D	ALA292
D	ASP306
D	TYR308
D	THR309
D	THR367
D	SER368
D	HOH1011
D	HOH1012
K	HOH101
K	HOH102
K	HOH103
K	HOH104
K	HOH105
K	HOH106
K	HOH107

site_id	FC2
Number of Residues	28
Details	BINDING SITE FOR CHAIN L OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE

Chain	Residue
E	ASP154
E	ASP191
E	ASN192
E	HIS194
E	VAL231
E	THR232
E	GLU236
E	SER253
E	TRP254
E	GLY255
E	PRO256
E	GLU257
E	ASP258
E	ASP264
E	GLY265
E	ALA292
E	ASN295
E	ASP306
E	TYR308
E	THR309
E	THR367
E	SER368
E	HOH703
E	HOH744
L	HOH101
L	HOH102
L	HOH103
L	HOH104

site_id	FC3
Number of Residues	29
Details	BINDING SITE FOR CHAIN N OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE

Chain	Residue
F	ASP154
F	ASP191
F	ASN192
F	HIS194
F	VAL231
F	THR232
F	ASP233
F	GLU236
F	SER253
F	TRP254
F	GLY255
F	PRO256
F	GLU257
F	ASP258
F	ASP264
F	GLY265
F	ALA292
F	ASP306
F	TYR308
F	THR309
F	THR367
F	SER368
F	HOH701
F	HOH999
N	HOH101
N	HOH102
N	HOH103
N	HOH104
N	HOH105

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	1884
Details	Domain: {"description":"Peptidase S8","evidences":[{"source":"PROSITE-ProRule","id":"PRU01240","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	126
Details	Region: {"description":"Disordered","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	12
Details	Motif: {"description":"Cell attachment site","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	18
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PROSITE-ProRule","id":"PRU01240","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	72
Details	Binding site: {"evidences":[{"source":"PubMed","id":"24666235","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25974265","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4OMC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OMD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RYD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	90
Details	Binding site: {"evidences":[{"source":"PubMed","id":"24666235","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"25974265","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4OMC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OMD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RYD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	18
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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