2O5X

Crystal structure of 1E9 LeuH47Trp/ArgH100Trp, an engineered Diels-Alderase Fab with nM steroid-binding affinity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 L 404

Chain	Residue
H	GLY55
H	GLU56
H	SER57
L	ARG211
L	HOH468
L	HOH515
L	HOH524

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 L 406

Chain	Residue
L	SER10
L	SER156
L	PRO8
L	LEU9

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 L 407

Chain	Residue
L	HIS93
L	PHE94

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site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 L 408

Chain	Residue
L	SER52
L	ASN53
L	ARG54
L	LYS188
L	HOH494

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site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 L 410

Chain	Residue
H	PRO123
L	SER121
L	ASP122
L	GLU123

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 H 401

Chain	Residue
H	PRO14
H	ASN84
H	SER112
H	SER113
H	HOH418
H	HOH505
L	ARG108
L	ALA111
L	HOH440
L	HOH454

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 H 402

Chain	Residue
H	SER25
H	GLY26
H	HOH531
H	HOH558

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 H 403

Chain	Residue
H	ARG66
H	LYS83
H	GLU85

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site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 H 405

Chain	Residue
H	GLU72
H	THR73
H	SER74

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 H 409

Chain	Residue
H	MET28
H	ASN31
H	ARG94
H	TYR102
H	HOH426

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 H 411

Chain	Residue
H	TYR27
H	MET28
H	MET28
H	TYR32
H	TYR32
H	HOH426

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site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE TRS H 301

Chain	Residue
H	ASN35
H	TRP50
H	TRP100
L	PHE89

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
H	TYR206-HIS212
L	TYR192-HIS198

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