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1TGS

THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN PANCREATIC SECRETORY INHIBITOR (KAZAL TYPE) AND TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. STRUCTURE SOLUTION, CRYSTALLOGRAPHIC REFINEMENT AND PRELIMINARY STRUCTURAL INTERPRETATION

Functional Information from GO Data
ChainGOidnamespacecontents
I0004867molecular_functionserine-type endopeptidase inhibitor activity
I0005576cellular_componentextracellular region
I0010466biological_processnegative regulation of peptidase activity
Z0004175molecular_functionendopeptidase activity
Z0004252molecular_functionserine-type endopeptidase activity
Z0005515molecular_functionprotein binding
Z0005576cellular_componentextracellular region
Z0005615cellular_componentextracellular space
Z0006508biological_processproteolysis
Z0007586biological_processdigestion
Z0008236molecular_functionserine-type peptidase activity
Z0046872molecular_functionmetal ion binding
Z0097180cellular_componentserine protease inhibitor complex
Z0097655molecular_functionserpin family protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 Z 1
ChainResidue
ZGLN64
ZASN95
ZTHR98
ZASN100

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA Z 800
ChainResidue
ZHOH661
ZGLU70
ZASN72
ZVAL75
ZGLU80
ZHOH660

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC
ChainResidueDetails
ZVAL53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPVV
ChainResidueDetails
ZASP189-VAL200

site_idPS00282
Number of Residues23
DetailsKAZAL_1 Kazal serine protease inhibitors family signature. CpkiyNpvCgTdgitYsneCvl.C
ChainResidueDetails
ICYS16-CYS38

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsSITE: Reactive bond for trypsin => ECO:0000250|UniProtKB:P09036, ECO:0000255|PROSITE-ProRule:PRU00798
ChainResidueDetails
ILYS18
ZLEU105
ZPRO198

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Necessary for sperm binding => ECO:0000250|UniProtKB:P09036
ChainResidueDetails
ITYR20
ZVAL75
ZGLY78
ZILE83
ZGLN192
ZSER195
ZPRO198

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ZASP102
ZHIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ZSER195
ZGLY196

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ZSER195
ZGLY193

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ZASP102
ZSER195
ZHIS57

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ZASP102
ZSER195
ZGLY193
ZHIS57

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ZASP102
ZSER195
ZHIS57
ZGLY196

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PDB entries from 2024-08-28

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