3O2V

Crystal structure of 1E9 PheL89Ser/LeuH47Trp/MetH100bPhe, an engineered Diels-Alderase Fab with modified specificity and catalytic activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE TRS L 215

Chain	Residue
L	GLY66
L	SER67

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE TRS L 216

Chain	Residue
L	SER52
L	ASN53
L	ARG54
L	LYS188

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE TRS H 236

Chain	Residue
H	SER74
H	LEU71
H	GLU72
H	THR73

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE TRS L 217

Chain	Residue
H	LYS13
H	SER115
H	HOH292
L	SER202
L	HOH267

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE TRS H 237

Chain	Residue
H	LYS117
H	GLY118

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE TRS L 218

Chain	Residue
L	SER56
L	GLY57

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE TRS H 238

Chain	Residue
H	SER25
H	GLY26
H	TYR27

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE TRS H 239

Chain	Residue
H	GLY15
H	GLU16
H	THR17

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE TRS L 219

Chain	Residue
L	GLN27
L	SER27

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE TRS L 220

Chain	Residue
H	LYS19
H	GLN81
L	ASN210

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FLC H 240

Chain	Residue
H	SER7
H	GLY8
H	LYS213

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE FLC L 221

Chain	Residue
H	THR167
H	SER168
H	GLY169
L	ASP167
L	SER168
L	LYS169
L	SO4227
L	HOH243

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FLC H 241

Chain	Residue
H	SER57
H	THR58
H	PHE59
L	SO4222

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 H 242

Chain	Residue
H	TYR27
H	TYR27
H	MET28
H	MET28
H	TYR32
H	TYR32
H	HOH160

---

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 H 243

Chain	Residue
H	ASN84
H	SER112
H	SER113
H	HOH264
H	HOH273
H	HOH315
L	ARG108
L	ALA111
L	HOH296

---

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 H 244

Chain	Residue
H	ARG66
H	LYS83
H	GLU85

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 L 222

Chain	Residue
H	GLU56
H	SER57
H	FLC241
H	HOH299
L	ARG211

---

site_id	BC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 L 223

Chain	Residue
L	HIS93
L	PHE94

---

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 L 224

Chain	Residue
L	PRO8
L	LEU9
L	SER10
L	SER156
L	HOH304

---

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 H 245

Chain	Residue
H	LYS38
H	ALA40
H	LYS43
H	HOH280

---

site_id	CC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 H 246

Chain	Residue
H	GLN179
H	SER180
H	HOH277
H	HOH320
L	LYS107
L	GLY157
L	GLN160

---

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 L 225

Chain	Residue
H	GLN105
H	HOH293
L	GLN42
L	SER43
L	LYS45
L	HOH263

---

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 L 226

Chain	Residue
L	ARG54
L	SER63
L	ASP185
L	LYS188

---

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 L 227

Chain	Residue
L	ASN138
L	FLC221
L	HOH249
H	GLY169
H	HIS172

---

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 L 228

Chain	Residue
L	PRO59
L	ASP60
L	ARG61
L	ARG77
L	HOH283

---

site_id	CC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 H 247

Chain	Residue
H	LYS221
H	LYS222

---

Functional Information from PROSITE/UniProt

site_id	PS00290
Number of Residues	7
Details	IG_MHC Immunoglobulins and major histocompatibility complex proteins signature. YACEVTH

Chain	Residue	Details
L	TYR192-HIS198
H	TYR206-HIS212

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