3QM1

CRYSTAL STRUCTURE OF THE LACTOBACILLUS JOHNSONII CINNAMOYL ESTERASE LJ0536 S106A MUTANT IN COMPLEX WITH ETHYLFERULATE, Form II

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
A	0052689	molecular_function	carboxylic ester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE ZYC A 245

Chain	Residue
A	GLY33
A	HIS225
A	NA267
A	HOH338
A	PHE34
A	ALA106
A	GLN107
A	LEU135
A	ASP138
A	THR144
A	GLN145
A	TYR169

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 246

Chain	Residue
A	LYS71
A	PHE72
A	GLU73
A	ASP162
A	HOH439
A	HOH469

---

site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 248

Chain	Residue
A	GLU23

---

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 249

Chain	Residue
A	HOH352

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 250

Chain	Residue
A	GLN175
A	HOH423

---

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 251

Chain	Residue
A	LEU217

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 252

Chain	Residue
A	LEU219
A	ILE220
A	GLU221
A	CL288

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 253

Chain	Residue
A	GLN175
A	HOH344
A	HOH362

---

site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 254

Chain	Residue
A	HOH370

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 255

Chain	Residue
A	GLN12
A	ASP67
A	ASP69

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 256

Chain	Residue
A	PRO151
A	ASP152
A	HIS153
A	ILE154
A	ARG171
A	HOH357

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 257

Chain	Residue
A	GLN-1
A	PHE-2
A	HOH447

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 258

Chain	Residue
A	ARG157
A	PRO159
A	HOH441

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 259

Chain	Residue
A	LYS206
A	ASP209
A	GLN210

---

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 260

Chain	Residue
A	GLU141
A	LYS233

---

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 261

Chain	Residue
A	MET1
A	ALA2

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 263

Chain	Residue
A	GLY137
A	HOH353
A	HOH388

---

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 264

Chain	Residue
A	LYS136
A	ILE178
A	TYR179
A	GLU180
A	CL303

---

site_id	CC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 266

Chain	Residue
A	GLY70

---

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 267

Chain	Residue
A	ALA36
A	ZYC245
A	HOH348
A	HOH467

---

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 268

Chain	Residue
A	CL302
A	CL302

---

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 269

Chain	Residue
A	CL305
A	HOH475

---

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 270

Chain	Residue
A	GLY66
A	CL301

---

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 271

Chain	Residue
A	GLU141
A	GLY142
A	THR148
A	TYR149
A	ASN237

---

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 272

Chain	Residue
A	SER228
A	ASP229
A	SER230
A	HOH477

---

site_id	CC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 274

Chain	Residue
A	ARG51

---

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 275

Chain	Residue
A	LYS136
A	CL300
A	CL303
A	HOH388
A	HOH413

---

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 276

Chain	Residue
A	ASN63
A	GLY70
A	LYS71
A	HOH346

---

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 277

Chain	Residue
A	CYS190
A	HIS218
A	PHE242
A	HOH355

---

site_id	DC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 278

Chain	Residue
A	GLY10
A	CL299

---

site_id	DC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 279

Chain	Residue
A	CL296

---

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 280

Chain	Residue
A	ASP196
A	GLY222
A	TYR231
A	LYS124

---

site_id	DC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 281

Chain	Residue
A	LEU217

---

site_id	DC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 282

Chain	Residue
A	ASP209
A	TYR212
A	SER215
A	HOH385
A	HOH479

---

site_id	DC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 283

Chain	Residue
A	HOH352
A	HOH411
A	HOH422

---

site_id	DC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 284

Chain	Residue
A	THR198
A	ASP224
A	HIS225

---

site_id	EC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 285

Chain	Residue
A	ASP209

---

site_id	EC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA A 286

Chain	Residue
A	CL298

---

site_id	EC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 287

Chain	Residue
A	GLY146
A	THR148

---

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 288

Chain	Residue
A	HIS153
A	NA252
A	HOH334

---

site_id	EC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 289

Chain	Residue
A	GLU180
A	CL294

---

site_id	EC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 290

Chain	Residue
A	SER41
A	ARG44
A	CL297

---

site_id	EC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 291

Chain	Residue
A	HOH377
A	HOH466

---

site_id	EC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 292

Chain	Residue
A	SER113
A	SER182
A	PHE185
A	TYR212

---

site_id	EC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 293

Chain	Residue
A	THR195
A	HOH459

---

site_id	FC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 294

Chain	Residue
A	CL289

---

site_id	FC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 295

Chain	Residue
A	ARG98
A	HOH435
A	HOH436

---

site_id	FC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 296

Chain	Residue
A	THR5
A	ASN214
A	NA279

---

site_id	FC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 297

Chain	Residue
A	ARG44
A	CL290

---

site_id	FC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 298

Chain	Residue
A	GLU45
A	GLN232
A	NA286
A	HOH378

---

site_id	FC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 299

Chain	Residue
A	NA278

---

site_id	FC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 300

Chain	Residue
A	TYR179
A	LYS207
A	NA275
A	HOH391

---

site_id	FC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 301

Chain	Residue
A	SER68
A	GLY70
A	NA270
A	HOH472
A	HOH473

---

site_id	FC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 302

Chain	Residue
A	NA268
A	NA268

---

site_id	GC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 303

Chain	Residue
A	LYS136
A	NA264
A	NA275

---

site_id	GC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 305

Chain	Residue
A	NA269

---

site_id	GC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 306

Chain	Residue
A	ASN-5
A	LEU-4
A	HIS96

---