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4TPI

THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR

Functional Information from GO Data
ChainGOidnamespacecontents
I0004867molecular_functionserine-type endopeptidase inhibitor 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 Residues8
DetailsBINDING SITE FOR RESIDUE VAL Z 1016
ChainResidue
ZGLY142
ZASN143
ZTHR144
ZLEU158
ZASP189
ZASP194
ZHOH430
ZVAL1017

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE VAL Z 1017
ChainResidue
ZTHR144
ZLYS188
ZGLY188
ZASP189
ZHOH456
ZVAL1016
ZGLY19

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA Z 462
ChainResidue
ZGLU70
ZASN72
ZVAL75
ZGLU77
ZGLU80
ZHOH481
ZHOH559

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 I 59
ChainResidue
ILYS41
IARG42
IHOH590

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 I 60
ChainResidue
IARG42
IHOH419
ZSER86
ZLYS87

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_idPS00280
Number of Residues19
DetailsBPTI_KUNITZ_1 Pancreatic trypsin inhibitor (Kunitz) family signature. FvyGGCrakrnnFksaedC
ChainResidueDetails
IPHE33-CYS51

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsSITE: Reactive bond for trypsin
ChainResidueDetails
IARG15
ZLEU105
ZPRO198

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING:
ChainResidueDetails
ZILE73
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 2024-07-24

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