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4TPY

High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density

Functional Information from GO Data
ChainGOidnamespacecontents
A0004175molecular_functionendopeptidase activity
A0004252molecular_functionserine-type endopeptidase activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0006508biological_processproteolysis
A0007586biological_processdigestion
A0008236molecular_functionserine-type peptidase activity
A0046872molecular_functionmetal ion binding
A0097180cellular_componentserine protease inhibitor complex
A0097655molecular_functionserpin family protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue CA A 301
ChainResidue
AGLU52
AASN54
AVAL57
AGLU62
AHOH590
AHOH595

site_idAC2
Number of Residues4
Detailsbinding site for residue NA A 302
ChainResidue
AHOH742
ATHR80
AASN82
AHOH637

site_idAC3
Number of Residues2
Detailsbinding site for residue NA A 303
ChainResidue
AGLN115
APRO141

site_idAC4
Number of Residues2
Detailsbinding site for residue NA A 304
ChainResidue
AASP133
AHOH689

site_idAC5
Number of Residues4
Detailsbinding site for residue NA A 305
ChainResidue
ATYR76
ASER78
AHOH461
AHOH518

site_idAC6
Number of Residues4
Detailsbinding site for residue NA A 306
ChainResidue
APHE64
AEDO338
AHOH743
AHOH775

site_idAC7
Number of Residues2
Detailsbinding site for residue NA A 307
ChainResidue
ATHR157
ASER158

site_idAC8
Number of Residues3
Detailsbinding site for residue BR A 308
ChainResidue
AASN77
AASN79
AHOH560

site_idAC9
Number of Residues3
Detailsbinding site for residue BR A 309
ChainResidue
AGLN47
APRO74
ASER75

site_idAD1
Number of Residues3
Detailsbinding site for residue BR A 310
ChainResidue
AALA93
ACYS109
ABR311

site_idAD2
Number of Residues4
Detailsbinding site for residue BR A 311
ChainResidue
ASER92
AALA93
ACYS109
ABR310

site_idAD3
Number of Residues1
Detailsbinding site for residue BR A 312
ChainResidue
AGLY154

site_idAD4
Number of Residues4
Detailsbinding site for residue BR A 313
ChainResidue
ACYS210
AASN211
AVAL213
ASER214

site_idAD5
Number of Residues4
Detailsbinding site for residue BR A 314
ChainResidue
ASER66
ASER92
ABR315
AHOH727

site_idAD6
Number of Residues3
Detailsbinding site for residue BR A 315
ChainResidue
ASER66
ABR314
AHOH727

site_idAD7
Number of Residues2
Detailsbinding site for residue BR A 316
ChainResidue
ASER195
ABR325

site_idAD8
Number of Residues1
Detailsbinding site for residue BR A 317
ChainResidue
AHIS73

site_idAD9
Number of Residues3
Detailsbinding site for residue BR A 318
ChainResidue
ATHR107
ASER108
AHOH463

site_idAE1
Number of Residues5
Detailsbinding site for residue BR A 319
ChainResidue
ASER68
ALYS69
ALYS89
ATHR129
AHOH493

site_idAE2
Number of Residues5
Detailsbinding site for residue BR A 320
ChainResidue
AGLN188
ALYS208
AVAL209
ACYS210
AEDO337

site_idAE3
Number of Residues4
Detailsbinding site for residue BR A 321
ChainResidue
ASER78
AASN79
AHOH479
AHOH523

site_idAE4
Number of Residues3
Detailsbinding site for residue BR A 322
ChainResidue
ASER102
AHOH525
AHOH722

site_idAE5
Number of Residues4
Detailsbinding site for residue BR A 324
ChainResidue
ATHR124
ASER130
APRO132
AHOH750

site_idAE6
Number of Residues4
Detailsbinding site for residue BR A 325
ChainResidue
AGLY185
ABR316
AHOH412
AHOH587

site_idAE7
Number of Residues2
Detailsbinding site for residue BR A 326
ChainResidue
AGLN115
AHOH771

site_idAE8
Number of Residues2
Detailsbinding site for residue BR A 327
ChainResidue
AVAL58
ALYS170

site_idAE9
Number of Residues2
Detailsbinding site for residue BR A 328
ChainResidue
AGLN199
ALYS200

site_idAF1
Number of Residues3
Detailsbinding site for residue BR A 329
ChainResidue
AASP145
AHOH581
AHOH583

site_idAF2
Number of Residues2
Detailsbinding site for residue BR A 330
ChainResidue
ASER95
AASN97

site_idAF3
Number of Residues4
Detailsbinding site for residue BR A 331
ChainResidue
AASN97
ASER98
AHOH704
AHOH779

site_idAF4
Number of Residues2
Detailsbinding site for residue BR A 332
ChainResidue
ALYS217
AHOH629

site_idAF5
Number of Residues2
Detailsbinding site for residue BR A 333
ChainResidue
ATHR6
AHOH585

site_idAF6
Number of Residues7
Detailsbinding site for residue BEN A 334
ChainResidue
AASP171
ASER172
AGLN174
AGLY196
AGLY204
AHOH601
AHOH739

site_idAF7
Number of Residues5
Detailsbinding site for residue TRS A 335
ChainResidue
ASER144
ASER147
AHOH436
AHOH725
AHOH740

site_idAF8
Number of Residues9
Detailsbinding site for residue EDO A 336
ChainResidue
AARG49
AILE55
AASN56
AVAL58
AHIS73
APRO74
AEDO341
AHOH475
AHOH595

site_idAF9
Number of Residues7
Detailsbinding site for residue EDO A 337
ChainResidue
ACYS109
AALA110
APHE161
AGLN188
ALYS208
ABR320
AHOH515

site_idAG1
Number of Residues5
Detailsbinding site for residue EDO A 338
ChainResidue
AGLU62
APHE64
ANA306
AHOH434
AHOH632

site_idAG2
Number of Residues8
Detailsbinding site for residue EDO A 339
ChainResidue
AASN79
ATHR80
ALYS139
AGLN155
ATRP193
AEDO340
AHOH428
AHOH449

site_idAG3
Number of Residues6
Detailsbinding site for residue EDO A 340
ChainResidue
ATYR5
ACYS7
ATHR11
AASN79
AEDO339
AHOH455

site_idAG4
Number of Residues11
Detailsbinding site for residue EDO A 341
ChainResidue
AASN19
AGLY21
ATYR22
AHIS23
AILE55
AASN56
AVAL72
AEDO336
AHOH402
AHOH404
AHOH425

site_idAG5
Number of Residues9
Detailsbinding site for residue EDO A 342
ChainResidue
AVAL58
AASN77
ASER78
AASN79
AHOH410
AHOH424
AHOH434
AHOH460
AHOH484

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC
ChainResidueDetails
AVAL36-CYS41

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPVV
ChainResidueDetails
AASP171-VAL182

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system
ChainResidueDetails
AHIS40
AASP84
ASER177

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING:
ChainResidueDetails
AVAL57
AGLU62
AASP171
AGLN174
ASER177
AGLU52
AASN54

221051

PDB entries from 2024-06-12

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