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4MNV

Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 301
ChainResidue
ALYS61
AHIS100
ATHR177
ALYS179
AHOH456

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 302
ChainResidue
AHOH422
AARG110
APHE132
ASER164
AARG206

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 303
ChainResidue
AARG72
AGLU153
ATHR242

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL C 101
ChainResidue
ALYS92
ATRP237
AHIS241

site_idAC5
Number of Residues40
DetailsBINDING SITE FOR ACYL-ENZYME INTERMEDIATE OF BICYCLIC PEPTIDE UK729
ChainResidue
ATHR23
AILE24
AGLU25
AHIS57
ALYS62
AGLY69
ASER71
ATHR77
AGLN78
AGLU86
ALYS92
AALA96
AASP97
ATHR97
ALEU97
AHIS99
AGLN154
AASP189
ASER190
ACYS191
AGLN192
AGLY193
AASP194
ASER195
ASER214
ATRP215
AGLY216
AARG217
AGLY218
AGLY226
ATRP237
AHIS241
AHOH410
BHOH202
BHOH203
BHOH204
BHOH205
BHOH206
CHOH201
CHOH202

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. ISATHC
ChainResidueDetails
AILE53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPLV
ChainResidueDetails
AASP189-VAL200

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

site_idSWS_FT_FI2
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:9151681
ChainResidueDetails
ASER146

site_idSWS_FT_FI3
Number of Residues1
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine
ChainResidueDetails
AGLN145

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PDB entries from 2024-07-24

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