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

Chain	GOid	namespace	contents
A	0004175	molecular_function	endopeptidase activity
A	0004252	molecular_function	serine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0006508	biological_process	proteolysis
A	0007586	biological_process	digestion
A	0008233	molecular_function	peptidase activity
A	0008236	molecular_function	serine-type peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
A	0097180	cellular_component	serine protease inhibitor complex
A	0097655	molecular_function	serpin family protein binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue CA A 301

Chain	Residue
A	GLU52
A	ASN54
A	VAL57
A	GLU62
A	HOH590
A	HOH595

---

site_id	AC2
Number of Residues	4
Details	binding site for residue NA A 302

Chain	Residue
A	HOH742
A	THR80
A	ASN82
A	HOH637

---

site_id	AC3
Number of Residues	2
Details	binding site for residue NA A 303

Chain	Residue
A	GLN115
A	PRO141

---

site_id	AC4
Number of Residues	2
Details	binding site for residue NA A 304

Chain	Residue
A	ASP133
A	HOH689

---

site_id	AC5
Number of Residues	4
Details	binding site for residue NA A 305

Chain	Residue
A	TYR76
A	SER78
A	HOH461
A	HOH518

---

site_id	AC6
Number of Residues	4
Details	binding site for residue NA A 306

Chain	Residue
A	PHE64
A	EDO338
A	HOH743
A	HOH775

---

site_id	AC7
Number of Residues	2
Details	binding site for residue NA A 307

Chain	Residue
A	THR157
A	SER158

---

site_id	AC8
Number of Residues	3
Details	binding site for residue BR A 308

Chain	Residue
A	ASN77
A	ASN79
A	HOH560

---

site_id	AC9
Number of Residues	3
Details	binding site for residue BR A 309

Chain	Residue
A	GLN47
A	PRO74
A	SER75

---

site_id	AD1
Number of Residues	3
Details	binding site for residue BR A 310

Chain	Residue
A	ALA93
A	CYS109
A	BR311

---

site_id	AD2
Number of Residues	4
Details	binding site for residue BR A 311

Chain	Residue
A	SER92
A	ALA93
A	CYS109
A	BR310

---

site_id	AD3
Number of Residues	1
Details	binding site for residue BR A 312

Chain	Residue
A	GLY154

---

site_id	AD4
Number of Residues	4
Details	binding site for residue BR A 313

Chain	Residue
A	CYS210
A	ASN211
A	VAL213
A	SER214

---

site_id	AD5
Number of Residues	4
Details	binding site for residue BR A 314

Chain	Residue
A	SER66
A	SER92
A	BR315
A	HOH727

---

site_id	AD6
Number of Residues	3
Details	binding site for residue BR A 315

Chain	Residue
A	SER66
A	BR314
A	HOH727

---

site_id	AD7
Number of Residues	2
Details	binding site for residue BR A 316

Chain	Residue
A	SER195
A	BR325

---

site_id	AD8
Number of Residues	1
Details	binding site for residue BR A 317

Chain	Residue
A	HIS73

---

site_id	AD9
Number of Residues	3
Details	binding site for residue BR A 318

Chain	Residue
A	THR107
A	SER108
A	HOH463

---

site_id	AE1
Number of Residues	5
Details	binding site for residue BR A 319

Chain	Residue
A	SER68
A	LYS69
A	LYS89
A	THR129
A	HOH493

---

site_id	AE2
Number of Residues	5
Details	binding site for residue BR A 320

Chain	Residue
A	GLN188
A	LYS208
A	VAL209
A	CYS210
A	EDO337

---

site_id	AE3
Number of Residues	4
Details	binding site for residue BR A 321

Chain	Residue
A	SER78
A	ASN79
A	HOH479
A	HOH523

---

site_id	AE4
Number of Residues	3
Details	binding site for residue BR A 322

Chain	Residue
A	SER102
A	HOH525
A	HOH722

---

site_id	AE5
Number of Residues	4
Details	binding site for residue BR A 324

Chain	Residue
A	THR124
A	SER130
A	PRO132
A	HOH750

---

site_id	AE6
Number of Residues	4
Details	binding site for residue BR A 325

Chain	Residue
A	GLY185
A	BR316
A	HOH412
A	HOH587

---

site_id	AE7
Number of Residues	2
Details	binding site for residue BR A 326

Chain	Residue
A	GLN115
A	HOH771

---

site_id	AE8
Number of Residues	2
Details	binding site for residue BR A 327

Chain	Residue
A	VAL58
A	LYS170

---

site_id	AE9
Number of Residues	2
Details	binding site for residue BR A 328

Chain	Residue
A	GLN199
A	LYS200

---

site_id	AF1
Number of Residues	3
Details	binding site for residue BR A 329

Chain	Residue
A	ASP145
A	HOH581
A	HOH583

---

site_id	AF2
Number of Residues	2
Details	binding site for residue BR A 330

Chain	Residue
A	SER95
A	ASN97

---

site_id	AF3
Number of Residues	4
Details	binding site for residue BR A 331

Chain	Residue
A	ASN97
A	SER98
A	HOH704
A	HOH779

---

site_id	AF4
Number of Residues	2
Details	binding site for residue BR A 332

Chain	Residue
A	LYS217
A	HOH629

---

site_id	AF5
Number of Residues	2
Details	binding site for residue BR A 333

Chain	Residue
A	THR6
A	HOH585

---

site_id	AF6
Number of Residues	7
Details	binding site for residue BEN A 334

Chain	Residue
A	ASP171
A	SER172
A	GLN174
A	GLY196
A	GLY204
A	HOH601
A	HOH739

---

site_id	AF7
Number of Residues	5
Details	binding site for residue TRS A 335

Chain	Residue
A	SER144
A	SER147
A	HOH436
A	HOH725
A	HOH740

---

site_id	AF8
Number of Residues	9
Details	binding site for residue EDO A 336

Chain	Residue
A	ARG49
A	ILE55
A	ASN56
A	VAL58
A	HIS73
A	PRO74
A	EDO341
A	HOH475
A	HOH595

---

site_id	AF9
Number of Residues	7
Details	binding site for residue EDO A 337

Chain	Residue
A	CYS109
A	ALA110
A	PHE161
A	GLN188
A	LYS208
A	BR320
A	HOH515

---

site_id	AG1
Number of Residues	5
Details	binding site for residue EDO A 338

Chain	Residue
A	GLU62
A	PHE64
A	NA306
A	HOH434
A	HOH632

---

site_id	AG2
Number of Residues	8
Details	binding site for residue EDO A 339

Chain	Residue
A	ASN79
A	THR80
A	LYS139
A	GLN155
A	TRP193
A	EDO340
A	HOH428
A	HOH449

---

site_id	AG3
Number of Residues	6
Details	binding site for residue EDO A 340

Chain	Residue
A	TYR5
A	CYS7
A	THR11
A	ASN79
A	EDO339
A	HOH455

---

site_id	AG4
Number of Residues	11
Details	binding site for residue EDO A 341

Chain	Residue
A	ASN19
A	GLY21
A	TYR22
A	HIS23
A	ILE55
A	ASN56
A	VAL72
A	EDO336
A	HOH402
A	HOH404
A	HOH425

---

site_id	AG5
Number of Residues	9
Details	binding site for residue EDO A 342

Chain	Residue
A	VAL58
A	ASN77
A	SER78
A	ASN79
A	HOH410
A	HOH424
A	HOH434
A	HOH460
A	HOH484

---

Functional Information from PROSITE/UniProt

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC

Chain	Residue	Details
A	VAL36-CYS41

---

site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPVV

Chain	Residue	Details
A	ASP171-VAL182

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	220
Details	Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	Binding site: {}

Chain

Residue

Details

---