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4MNY

Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK903

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
B0004252molecular_functionserine-type endopeptidase activity
B0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1001
ChainResidue
AHIS37
AARG37
AHOH1171

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1002
ChainResidue
AHOH1259
AHOH1265
ATHR39
ATYR40
AHOH1141
AHOH1144
AHOH1200
AHOH1222

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 1003
ChainResidue
AVAL41
AHIS57
AGLN192
AGLY193
ASER195
AHOH1258
CTYR6

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 1004
ChainResidue
AARG239
ATHR242

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1005
ChainResidue
AHIS100
AASN101
ATHR177
ALYS179
AMET180
AHOH1227

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1006
ChainResidue
AHIS165
AARG166
AHOH1317

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 301
ChainResidue
BHIS37
BARG37

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 302
ChainResidue
BTHR39
BTYR40
BTYR151
BACT306
BHOH470
BHOH525
BHOH527
BHOH528

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 303
ChainResidue
BVAL41
BHIS57
BGLN192
BGLY193
BSER195
BHOH401
DTYR6

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 304
ChainResidue
BTYR67
BARG70
BHOH454

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 305
ChainResidue
BHIS100
BASN101
BTHR177
BLYS179

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 306
ChainResidue
BLEU73
BASN74
BTYR151
BSO4302

site_idBC4
Number of Residues36
DetailsBINDING SITE FOR BICYCLIC PEPTIDE UK903
ChainResidue
AHIS57
AASP60
AHIS99
ALYS143
ASER146
ATHR147
AASP148
ASER190
ACYS191
AGLN192
ASER195
AVAL213
ASER214
ATRP215
AGLY216
AARG217
AGLY218
ACYS220
AGLY226
AACT1003
AHOH1106
AHOH1108
AHOH1123
AHOH1159
AHOH1160
CHOH201
CHOH202
CHOH203
CHOH204
CHOH206
CHOH207
CHOH212
CHOH214
CHOH215
CHOH216
CHOH217

site_idBC5
Number of Residues34
DetailsBINDING SITE FOR BICYCLIC PEPTIDE UK903
ChainResidue
BASP148
BSER190
BCYS191
BGLN192
BSER195
BVAL213
BTRP215
BGLY216
BARG217
BGLY218
BCYS220
BGLY226
BACT303
BHOH413
BHOH427
BHOH446
DHOH201
DHOH202
DHOH203
DHOH204
DHOH205
DHOH206
DHOH207
DHOH209
DHOH210
DHOH213
DHOH221
DHOH222
BHIS57
BASP60
BHIS99
BLYS143
BSER146
BTHR147

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 Residues6
DetailsACT_SITE: Charge relay system
ChainResidueDetails
AHIS57
AASP102
ASER195
BHIS57
BASP102
BSER195

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:9151681
ChainResidueDetails
ASER146
BSER146

site_idSWS_FT_FI3
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine
ChainResidueDetails
AGLN145
BGLN145

225399

PDB entries from 2024-09-25

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