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6MRQ

Structure of ToPI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin

Functional Information from GO Data
ChainGOidnamespacecontents
A0004175molecular_functionendopeptidase activity
A0004252molecular_functionserine-type endopeptidase activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0006508biological_processproteolysis
A0007586biological_processdigestion
A0008233molecular_functionpeptidase activity
A0008236molecular_functionserine-type peptidase activity
A0016787molecular_functionhydrolase activity
A0046872molecular_functionmetal ion binding
A0097180cellular_componentserine protease inhibitor complex
A0097655molecular_functionserpin family protein binding
I0004867molecular_functionserine-type endopeptidase inhibitor activity
I0005576cellular_componentextracellular region
I0030414molecular_functionpeptidase inhibitor activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue CA A 301
ChainResidue
AGLU70
AASN72
AVAL75
AGLU80
AHOH417
AHOH497

site_idAC2
Number of Residues10
Detailsbinding site for residue SO4 A 302
ChainResidue
ALYS222
AASN223
AHOH421
AHOH478
AHOH510
AHOH522
AHOH554
AASN95
ATHR98
AASN100

site_idAC3
Number of Residues7
Detailsbinding site for residue SO4 A 303
ChainResidue
AARG66
ASER164
ASER166
AHOH403
AHOH432
AHOH466
AHOH552

site_idAC4
Number of Residues7
Detailsbinding site for residue SO4 A 304
ChainResidue
ALYS169
APRO173
AGLY174
ASER236
AHOH443
AHOH458
AHOH464

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC
ChainResidueDetails
AVAL53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPVV
ChainResidueDetails
AASP189-VAL200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues220
DetailsDomain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues3
DetailsActive site: {"description":"Charge relay system"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues7
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsSite: {"description":"Binds trypsin","evidences":[{"source":"PubMed","id":"32787139","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsCross-link: {"description":"Cyclopeptide (Ile-Lys)","evidences":[{"source":"PubMed","id":"32787139","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

239149

PDB entries from 2025-07-23

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