5MIM

Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule inhibitor 1n

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Functional Information from GO Data

ChainGOidnamespacecontents
A0009986cellular_componentcell surface
A0005783cellular_componentendoplasmic reticulum
A0010008cellular_componentendosome membrane
A0070062cellular_componentextracellular exosome
A0005576cellular_componentextracellular region
A0005796cellular_componentGolgi lumen
A0000139cellular_componentGolgi membrane
A0030173cellular_componentintegral component of Golgi membrane
A0016020cellular_componentmembrane
A0045121cellular_componentmembrane raft
A0005886cellular_componentplasma membrane
A0005802cellular_componenttrans-Golgi network
A0030140cellular_componenttrans-Golgi network transport vesicle
A0004175molecular_functionendopeptidase activity
A0046872molecular_functionmetal ion binding
A0048406molecular_functionnerve growth factor binding
A0008233molecular_functionpeptidase activity
A0042277molecular_functionpeptide binding
A0002020molecular_functionprotease binding
A0004252molecular_functionserine-type endopeptidase activity
A0004867molecular_functionserine-type endopeptidase inhibitor activity
A0044267biological_processcellular protein metabolic process
A0030574biological_processcollagen catabolic process
A0070268biological_processcornification
A0090472biological_processdibasic protein processing
A0022617biological_processextracellular matrix disassembly
A0030198biological_processextracellular matrix organization
A0032804biological_processnegative regulation of low-density lipoprotein particle receptor catabolic process
A0032911biological_processnegative regulation of transforming growth factor beta1 production
A0032455biological_processnerve growth factor processing
A0032902biological_processnerve growth factor production
A0043043biological_processpeptide biosynthetic process
A0016486biological_processpeptide hormone processing
A0051044biological_processpositive regulation of membrane protein ectodomain proteolysis
A1901394biological_processpositive regulation of transforming growth factor beta1 activation
A0016485biological_processprotein processing
A0052548biological_processregulation of endopeptidase activity
A0051004biological_processregulation of lipoprotein lipase activity
A0045714biological_processregulation of low-density lipoprotein particle receptor biosynthetic process
A0042176biological_processregulation of protein catabolic process
A0009966biological_processregulation of signal transduction
A0032940biological_processsecretion by cell
A0006465biological_processsignal peptide processing
A0007179biological_processtransforming growth factor beta receptor signaling pathway
A0019058biological_processviral life cycle
A0019082biological_processviral protein processing
A0031638biological_processzymogen activation
A0097341biological_processzymogen inhibition
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC16binding site for residue CA A 601
ChainResidue
AASP174
AASP179
AASP181
AHOH736
AHOH762
AHOH1071

AC26binding site for residue CA A 602
ChainResidue
AASP115
AASP162
AVAL205
AASN208
AVAL210
AGLY212

AC36binding site for residue CA A 603
ChainResidue
AASP258
AASP301
AGLU331
AHOH825
AHOH932
AHOH1023

AC45binding site for residue NA A 604
ChainResidue
ATHR309
ASER311
ATHR314
ASER316
AHOH867

AC56binding site for residue NA A 605
ChainResidue
ASER279
AGLY284
AHOH748
AHOH757
AHOH1104
AHOH1121

AC64binding site for residue NA A 606
ChainResidue
ASER544
ASER544
AHOH804
AHOH804

AC76binding site for residue NA A 607
ChainResidue
AGLU546
AGLU546
AHOH1074
AHOH1074
AHOH1089
AHOH1089

AC84binding site for residue CL A 608
ChainResidue
AARG276
ATYR313
ALYS449
ATYR571

AC97binding site for residue 1N A 609
ChainResidue
AARG185
AASP191
AASN192
ALEU227
AASP228
AGLY229
AGLU230

AD113binding site for residue 1N A 610
ChainResidue
AASP153
AHIS194
ACYS198
ALEU227
AVAL231
AGLU236
ASER253
AGLY255
AASP264
ATYR308
ASER368
AHOH770
AHOH1025

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
1N_5mim_A_610161-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine binding site
ChainResidueligand
AASP153-ASP1541N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AHIS1941N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
ACYS1981N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
ALEU2271N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AVAL2311N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AGLU2361N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
ASER253-GLU2571N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AASP264-GLY2651N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
ATYR3081N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
ASER3681N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine

1N_5mim_A_609111-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine binding site
ChainResidueligand
AASP1541N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AASP1771N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AARG1851N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AASP191-ASN1921N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AHIS1941N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
AARG2251N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
ALEU227-GLU2301N: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI11Charge relay system. {ECO:0000255|PROSITE-ProRule:PRU10081}.
ChainResidueDetails
AHIS87

SWS_FT_FI21Charge relay system. {ECO:0000255|PROSITE-ProRule:PRU10080}.
ChainResidueDetails
AASP46

SWS_FT_FI31Charge relay system. {ECO:0000255|PROSITE-ProRule:PRU10082}.
ChainResidueDetails
ASER261

SWS_FT_FI43Calcium 3. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265}
ChainResidueDetails
AASP151
AASP194
AGLU224

SWS_FT_FI53Calcium 1; via carbonyl oxygen. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265}
ChainResidueDetails
AVAL98
AVAL103
AGLY105

SWS_FT_FI63Calcium 1. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265}
ChainResidueDetails
AASP8
AASP55
AASN101

SWS_FT_FI71Calcium 2; via carbonyl oxygen. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265}
ChainResidueDetails
AASP74

SWS_FT_FI82Calcium 2. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000269|PubMed:24666235, ECO:0000269|PubMed:25974265}
ChainResidueDetails
AASP67
AASP72

SWS_FT_FI96Substrate. {ECO:0000244|PDB:4OMC, ECO:0000244|PDB:4OMD, ECO:0000244|PDB:4RYD, ECO:0000305|PubMed:24666235, ECO:0000305|PubMed:25974265}.
ChainResidueDetails
AASP47
AGLU129
AASP157
AASP199
ATYR201
ASER261

SWS_FT_FI102Cleavage, first; by autolysis. {ECO:0000269|PubMed:1629222, ECO:0000269|PubMed:9130696}.
ChainResidueDetails
ANA*

SWS_FT_FI112Cleavage, second; by autolysis. {ECO:0000269|PubMed:9130696}.
ChainResidueDetails
ANA*

SWS_FT_FI1223Helical. {ECO:0000255}.
ChainResidueDetails
ANA*

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Catalytic Information from CSA

site_idNumber of ResiduesDetails