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3BG4

The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
B0004252molecular_functionserine-type endopeptidase activity
B0006508biological_processproteolysis
C0004252molecular_functionserine-type endopeptidase activity
C0006508biological_processproteolysis
D0004857molecular_functionenzyme inhibitor activity
D0004867molecular_functionserine-type endopeptidase inhibitor activity
D0005576cellular_componentextracellular region
D0030414molecular_functionpeptidase inhibitor activity
D0050819biological_processnegative regulation of coagulation
Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VTAAHC
ChainResidueDetails
BVAL53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. SScmGDSGGPLV
ChainResidueDetails
CSER189-VAL200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsActive site: {"description":"Charge relay system"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues26
DetailsDomain: {"description":"Antistasin-like","evidences":[{"source":"PROSITE-ProRule","id":"PRU00582","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues1
DetailsSite: {"description":"Reactive bond"}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hja
ChainResidueDetails
BASP102
BHIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hja
ChainResidueDetails
CSER195
CGLY193

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hja
ChainResidueDetails
CSER195
CGLY196

site_idMCSA1
Number of Residues3
DetailsM-CSA 387
ChainResidueDetails
CGLY193electrostatic stabiliser
CSER195covalent catalysis
CGLY196electrostatic stabiliser

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PDB entries from 2025-07-23

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