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1O5B

Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)

Functional Information from GO Data
ChainGOidnamespacecontents
B0004252molecular_functionserine-type endopeptidase activity
B0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE ESI B 251
ChainResidue
BCIT3
BHOH405
BASP189
BALA190
BGLN192
BSER195
BTRP215
BGLY216
BGLY219
BGLY226

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE CIT B 1
ChainResidue
BCIT2
BTYR67
BLYS82
BSER164
BHIS165
BARG166
BHOH264
BHOH350
BHOH443

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CIT B 2
ChainResidue
BCIT1
BARG36
BLYS82
BLYS110
BHIS165
BARG166
BARG230
BHOH415

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE CIT B 3
ChainResidue
BHIS57
BGLN185
BGLN192
BGLY193
BSER195
BESI251
BHOH354
BHOH407
BHOH464
BHOH465
BHOH466

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. ISATHC
ChainResidueDetails
BILE53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAcqGDSGGPLV
ChainResidueDetails
BASP189-VAL200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system
ChainResidueDetails
BHIS57
BASP102
BSER195

site_idSWS_FT_FI2
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:9151681
ChainResidueDetails
BSER146

site_idSWS_FT_FI3
Number of Residues1
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine
ChainResidueDetails
BALA145

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BASP102
BHIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BSER195
BGLY196

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BSER195
BGLY193

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BASP102
BSER195
BGLY193
BHIS57

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BASP102
BSER195
BHIS57

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BASP102
BSER195
BHIS57
BGLY196

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PDB entries from 2024-07-17

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