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1GCD

REFINED CRYSTAL STRUCTURE OF "AGED" AND "NON-AGED" ORGANOPHOSPHORYL CONJUGATES OF GAMMA-CHYMOTRYPSIN

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0006508biological_processproteolysis
A0007586biological_processdigestion
A0008233molecular_functionpeptidase activity
A0008236molecular_functionserine-type peptidase activity
A0016787molecular_functionhydrolase activity
A0097180cellular_componentserine protease inhibitor complex
A0097655molecular_functionserpin family protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 296
ChainResidue
ASER115
AGLN116

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 297
ChainResidue
AHOH526
APRO152
AASP153
AARG154
AHOH377

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 298
ChainResidue
ALYS36
ASER92
ATRP237
AHOH331
AHOH431
AHOH510

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DEP A 290
ChainResidue
AHIS57
ACYS191
AMET192
AGLY193
AASP194
ASER195
AHOH564

site_idCAT
Number of Residues3
Details
ChainResidue
AHIS57
AASP102
ASER195

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

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. SScmGDSGGPLV
ChainResidueDetails
ASER189-VAL200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system
ChainResidueDetails
AHIS57
AASP102
ASER195

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 387
ChainResidueDetails
AHIS57electrostatic stabiliser, proton shuttle (general acid/base)
AASP102modifies pKa
AGLY193electrostatic stabiliser
ASER195covalent catalysis
AGLY196electrostatic stabiliser

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PDB entries from 2024-04-24

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