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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
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
A0008236molecular_functionserine-type peptidase activity
B0004252molecular_functionserine-type endopeptidase activity
B0006508biological_processproteolysis
B0008236molecular_functionserine-type peptidase activity
C0004252molecular_functionserine-type endopeptidase activity
C0006508biological_processproteolysis
C0008236molecular_functionserine-type peptidase activity
D0004252molecular_functionserine-type endopeptidase activity
D0006508biological_processproteolysis
D0008236molecular_functionserine-type peptidase activity
E0004252molecular_functionserine-type endopeptidase activity
E0006508biological_processproteolysis
E0008236molecular_functionserine-type peptidase activity
F0004252molecular_functionserine-type endopeptidase activity
F0006508biological_processproteolysis
F0008236molecular_functionserine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FMT A 601
ChainResidue
AASN295
ATHR365
AGLY366
AHOH760
EARG298

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FMT A 602
ChainResidue
BGLN280
ATYR313
AGLN447
AFMT603
BARG276

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT A 603
ChainResidue
APHE275
ATYR313
ALYS449
ATYR571
AFMT602
BARG276

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 604
ChainResidue
AASP115
AASP162
AVAL205
AASN208
AVAL210
AGLY212

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 605
ChainResidue
AASP258
AASP301
AGLU331
AHOH756
AHOH771
AHOH852

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 606
ChainResidue
AASP174
AASP179
AASP181
AHOH729
AHOH734
AHOH902

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 607
ChainResidue
ATHR309
ASER311
ATHR314
AHOH784

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT B 601
ChainResidue
AARG276
AGLN280
BTYR313
BGLN447
BFMT602
BHOH751

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FMT B 602
ChainResidue
AARG276
BPHE275
BTYR313
BLYS449
BFMT601

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE FMT B 603
ChainResidue
BTHR365
BHOH831
DARG298

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 604
ChainResidue
BASP115
BASP162
BVAL205
BASN208
BVAL210
BGLY212

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 605
ChainResidue
BASP258
BASP301
BGLU331
BHOH716
BHOH744
BHOH837

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 606
ChainResidue
BASP174
BASP179
BASP181
BHOH772
BHOH810
BHOH838

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA B 607
ChainResidue
BTHR309
BSER311
BTHR314
BHOH703

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FMT C 601
ChainResidue
CASN295
CTHR365
CGLY366
CHOH875
FARG298

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT C 602
ChainResidue
CPHE275
CGLN447
CFMT603
CHOH785
DARG276
DGLN280

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT C 603
ChainResidue
CPHE275
CTYR313
CLYS449
CTYR571
CFMT602
DARG276

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA C 604
ChainResidue
CASP115
CASP162
CVAL205
CASN208
CVAL210
CGLY212

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA C 605
ChainResidue
CGLU331
CHOH728
CHOH750
CHOH791
CASP258
CASP301

site_idCC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA C 606
ChainResidue
CASP174
CASP179
CASP181
CHOH800
CHOH803
CHOH859

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA C 607
ChainResidue
CTHR309
CSER311
CTHR314
CHOH721

site_idCC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT D 601
ChainResidue
CARG276
CGLN280
DTYR313
DGLN447
DFMT602
DHOH772

site_idCC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FMT D 602
ChainResidue
CARG276
DPHE275
DTYR313
DLYS449
DFMT601

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE FMT D 603
ChainResidue
BARG298
DTRP328
DTHR365
DGLY366

site_idCC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA D 604
ChainResidue
DASP115
DASP162
DVAL205
DASN208
DVAL210
DGLY212

site_idCC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA D 605
ChainResidue
DASP258
DASP301
DGLU331
DHOH710
DHOH727
DHOH832

site_idCC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA D 606
ChainResidue
DASP174
DASP179
DASP181
DHOH722
DHOH754
DHOH833

site_idDC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA D 607
ChainResidue
DTHR309
DSER311
DTHR314
DHOH723

site_idDC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE FMT E 601
ChainResidue
ETHR365
EGLY366
EHOH912

site_idDC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FMT E 602
ChainResidue
EPHE275
ETYR313
EGLN447
EFMT603
FARG276

site_idDC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT E 603
ChainResidue
EPHE275
ETYR313
ELYS449
ETYR571
EFMT602
FARG276

site_idDC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA E 604
ChainResidue
EASP115
EASP162
EVAL205
EASN208
EVAL210
EGLY212

site_idDC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA E 605
ChainResidue
EASP258
EASP301
EGLU331
EHOH720
EHOH721
EHOH839

site_idDC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA E 606
ChainResidue
EASP174
EASP179
EASP181
EHOH840
EHOH877
EHOH920

site_idDC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA E 607
ChainResidue
ETHR309
ESER311
ETHR314
EHOH704

site_idDC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT F 601
ChainResidue
EARG276
FTYR313
FTRP390
FGLN447
FFMT602
FHOH891

site_idEC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT F 602
ChainResidue
EARG276
FPHE275
FTYR313
FLYS449
FTYR571
FFMT601

site_idEC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT F 603
ChainResidue
CARG298
FASN295
FTRP328
FTHR365
FGLY366
FHOH863

site_idEC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA F 604
ChainResidue
FASP115
FASP162
FVAL205
FASN208
FVAL210
FGLY212

site_idEC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA F 605
ChainResidue
FASP258
FASP301
FGLU331
FHOH704
FHOH722
FHOH770

site_idEC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA F 606
ChainResidue
FASP174
FASP179
FASP181
FHOH748
FHOH778
FHOH819

site_idEC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA F 607
ChainResidue
FTHR309
FSER311
FTHR314
FHOH716

site_idEC7
Number of Residues30
DetailsBINDING SITE FOR CHAIN H OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE
ChainResidue
AASP154
AASP191
AASN192
AHIS194
AVAL231
ATHR232
AASP233
AGLU236
ASER253
ATRP254
AGLY255
APRO256
AGLU257
AASP258
AASP264
AGLY265
AALA267
AALA292
AASP306
ATYR308
ATHR309
ATHR367
ASER368
AHOH715
AHOH948
AHOH987
HHOH101
HHOH102
HHOH103
HHOH104

site_idEC8
Number of Residues28
DetailsBINDING SITE FOR CHAIN I OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE
ChainResidue
BASP154
BASP191
BASN192
BHIS194
BVAL231
BTHR232
BGLU236
BSER253
BTRP254
BGLY255
BPRO256
BGLU257
BASP258
BASP264
BGLY265
BALA292
BASP306
BTYR308
BTHR309
BTHR367
BSER368
BHOH701
BHOH973
BHOH1022
BHOH1023
IHOH101
IHOH102
IHOH103

site_idEC9
Number of Residues28
DetailsBINDING SITE FOR CHAIN J OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE
ChainResidue
CASP154
CASP191
CASN192
CHIS194
CVAL231
CTHR232
CGLU236
CSER253
CTRP254
CGLY255
CPRO256
CGLU257
CASP258
CASP264
CGLY265
CALA292
CSER293
CASP306
CTYR308
CTHR309
CTHR367
CSER368
CHOH711
JHOH101
JHOH102
JHOH103
JHOH104
JHOH105

site_idFC1
Number of Residues31
DetailsBINDING SITE FOR CHAIN K OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE
ChainResidue
DASP154
DASP191
DASN192
DHIS194
DVAL231
DTHR232
DASP233
DGLU236
DSER253
DTRP254
DGLY255
DPRO256
DGLU257
DASP258
DASP264
DGLY265
DALA292
DASP306
DTYR308
DTHR309
DTHR367
DSER368
DHOH1011
DHOH1012
KHOH101
KHOH102
KHOH103
KHOH104
KHOH105
KHOH106
KHOH107

site_idFC2
Number of Residues28
DetailsBINDING SITE FOR CHAIN L OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE
ChainResidue
EASP154
EASP191
EASN192
EHIS194
EVAL231
ETHR232
EGLU236
ESER253
ETRP254
EGLY255
EPRO256
EGLU257
EASP258
EASP264
EGLY265
EALA292
EASN295
EASP306
ETYR308
ETHR309
ETHR367
ESER368
EHOH703
EHOH744
LHOH101
LHOH102
LHOH103
LHOH104

site_idFC3
Number of Residues29
DetailsBINDING SITE FOR CHAIN N OF PARA-GUANIDINOMETHYL-PHENYLACETYL-ARG-(3-METHYLVALINE)-ARG- (AMIDOMETHYL)BENZAMIDINE
ChainResidue
FASP154
FASP191
FASN192
FHIS194
FVAL231
FTHR232
FASP233
FGLU236
FSER253
FTRP254
FGLY255
FPRO256
FGLU257
FASP258
FASP264
FGLY265
FALA292
FASP306
FTYR308
FTHR309
FTHR367
FSER368
FHOH701
FHOH999
NHOH101
NHOH102
NHOH103
NHOH104
NHOH105

Functional Information from PROSITE/UniProt
site_idPS00136
Number of Residues12
DetailsSUBTILASE_ASP Serine proteases, subtilase family, aspartic acid active site. VSILDDGIeknH
ChainResidueDetails
AVAL149-HIS160

site_idPS00137
Number of Residues11
DetailsSUBTILASE_HIS Serine proteases, subtilase family, histidine active site. HGTrCAGeVAA
ChainResidueDetails
AHIS194-ALA204

site_idPS00138
Number of Residues11
DetailsSUBTILASE_SER Serine proteases, subtilase family, serine active site. GTSaSaPlAAG
ChainResidueDetails
AGLY366-GLY376

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues18
DetailsACT_SITE: Charge relay system => ECO:0000255|PROSITE-ProRule:PRU01240
ChainResidueDetails
AASP153
DASP153
DHIS194
DSER368
EASP153
EHIS194
ESER368
FASP153
FHIS194
FSER368
AHIS194
ASER368
BASP153
BHIS194
BSER368
CASP153
CHIS194
CSER368

site_idSWS_FT_FI2
Number of Residues72
DetailsBINDING: BINDING => ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265, ECO:0007744|PDB:4OMC, ECO:0007744|PDB:4OMD, ECO:0007744|PDB:4RYD
ChainResidueDetails
AASP115
AASP258
AASP301
AGLU331
BASP115
BASP162
BASP174
BASP179
BASP181
BVAL205
BASN208
AASP162
BVAL210
BGLY212
BASP258
BASP301
BGLU331
CASP115
CASP162
CASP174
CASP179
CASP181
AASP174
CVAL205
CASN208
CVAL210
CGLY212
CASP258
CASP301
CGLU331
DASP115
DASP162
DASP174
AASP179
DASP179
DASP181
DVAL205
DASN208
DVAL210
DGLY212
DASP258
DASP301
DGLU331
EASP115
AASP181
EASP162
EASP174
EASP179
EASP181
EVAL205
EASN208
EVAL210
EGLY212
EASP258
EASP301
AVAL205
EGLU331
FASP115
FASP162
FASP174
FASP179
FASP181
FVAL205
FASN208
FVAL210
FGLY212
AASN208
FASP258
FASP301
FGLU331
AVAL210
AGLY212

site_idSWS_FT_FI3
Number of Residues54
DetailsBINDING: BINDING => ECO:0000305|PubMed:24666235, ECO:0000305|PubMed:25974265, ECO:0007744|PDB:4OMC, ECO:0007744|PDB:4OMD, ECO:0007744|PDB:4RYD
ChainResidueDetails
AASP154
BASP154
BASP191
BGLU236
BSER253
BASP264
BALA292
BASP306
BTYR308
BSER368
CASP154
AASP191
CASP191
CGLU236
CSER253
CASP264
CALA292
CASP306
CTYR308
CSER368
DASP154
DASP191
AGLU236
DGLU236
DSER253
DASP264
DALA292
DASP306
DTYR308
DSER368
EASP154
EASP191
EGLU236
ASER253
ESER253
EASP264
EALA292
EASP306
ETYR308
ESER368
FASP154
FASP191
FGLU236
FSER253
AASP264
FASP264
FALA292
FASP306
FTYR308
FSER368
AALA292
AASP306
ATYR308
ASER368

site_idSWS_FT_FI4
Number of Residues18
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN387
DASN387
DASN440
DASN553
EASN387
EASN440
EASN553
FASN387
FASN440
FASN553
AASN440
AASN553
BASN387
BASN440
BASN553
CASN387
CASN440
CASN553

218853

PDB entries from 2024-04-24

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