7O0T

Crystal structure of Chloroflexus aggregans ene-reductase CaOYE holoenzyme

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003959	molecular_function	NADPH dehydrogenase activity
A	0010181	molecular_function	FMN binding
A	0016491	molecular_function	oxidoreductase activity
A	0050661	molecular_function	NADP binding
B	0003959	molecular_function	NADPH dehydrogenase activity
B	0010181	molecular_function	FMN binding
B	0016491	molecular_function	oxidoreductase activity
B	0050661	molecular_function	NADP binding
C	0003959	molecular_function	NADPH dehydrogenase activity
C	0010181	molecular_function	FMN binding
C	0016491	molecular_function	oxidoreductase activity
C	0050661	molecular_function	NADP binding
D	0003959	molecular_function	NADPH dehydrogenase activity
D	0010181	molecular_function	FMN binding
D	0016491	molecular_function	oxidoreductase activity
D	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	binding site for residue FMN A 401

Chain	Residue
A	SER23
A	VAL299
A	GLY300
A	LEU301
A	GLY323
A	ARG324
A	MLI402
A	HOH515
A	HOH516
A	HOH517
A	HOH546
A	PRO24
C	ARG352
A	MET25
A	CYS26
A	ALA58
A	GLN100
A	HIS177
A	HIS180
A	ARG230

---

site_id	AC2
Number of Residues	6
Details	binding site for residue MLI A 402

Chain	Residue
A	TYR28
A	HIS177
A	HIS180
A	TYR182
A	FMN401
C	ARG352

---

site_id	AC3
Number of Residues	18
Details	binding site for residue FMN B 401

Chain	Residue
B	SER23
B	PRO24
B	MET25
B	CYS26
B	ALA58
B	GLN100
B	HIS177
B	HIS180
B	ARG230
B	VAL299
B	GLY300
B	LEU301
B	GLY323
B	ARG324
B	MLI402
B	HOH517
B	HOH518
D	ARG352

---

site_id	AC4
Number of Residues	6
Details	binding site for residue MLI B 402

Chain	Residue
B	TYR28
B	HIS177
B	HIS180
B	TYR182
B	FMN401
D	ARG352

---

site_id	AC5
Number of Residues	18
Details	binding site for residue FMN C 401

Chain	Residue
A	ARG352
C	SER23
C	PRO24
C	MET25
C	CYS26
C	ALA58
C	GLN100
C	HIS177
C	HIS180
C	ARG230
C	VAL299
C	GLY300
C	LEU301
C	GLY323
C	ARG324
C	MLI402
C	HOH501
C	HOH519

---

site_id	AC6
Number of Residues	7
Details	binding site for residue MLI C 402

Chain	Residue
A	ARG352
C	TYR28
C	HIS177
C	HIS180
C	TYR182
C	FMN401
C	HOH527

---

site_id	AC7
Number of Residues	19
Details	binding site for residue FMN D 401

Chain	Residue
B	ARG352
D	SER23
D	PRO24
D	MET25
D	CYS26
D	ALA58
D	GLN100
D	HIS177
D	HIS180
D	ARG230
D	VAL299
D	GLY300
D	LEU301
D	GLY323
D	ARG324
D	MLI402
D	HOH507
D	HOH509
D	HOH523

---

site_id	AC8
Number of Residues	6
Details	binding site for residue MLI D 402

Chain	Residue
D	FMN401
B	ARG352
D	TYR28
D	HIS177
D	HIS180
D	TYR182

---

site_id	AC9
Number of Residues	6
Details	binding site for residue MLI D 403

Chain	Residue
A	ARG251
A	GLU291
A	ASN293
B	LEU351
B	ARG352
D	PRO113

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton donor => ECO:0000305|PubMed:33925162

Chain	Residue	Details
A	TYR182
B	TYR182
C	TYR182
D	TYR182

---

site_id	SWS_FT_FI2
Number of Residues	36
Details	BINDING: BINDING => ECO:0000269|PubMed:33925162, ECO:0007744|PDB:7O0T

Chain	Residue	Details
A	SER23
B	SER23
B	PRO24
B	CYS26
B	ALA58
B	GLN100
B	ARG230
B	LEU301
B	GLY323
B	ARG324
C	SER23
A	PRO24
C	PRO24
C	CYS26
C	ALA58
C	GLN100
C	ARG230
C	LEU301
C	GLY323
C	ARG324
D	SER23
D	PRO24
A	CYS26
D	CYS26
D	ALA58
D	GLN100
D	ARG230
D	LEU301
D	GLY323
D	ARG324
A	ALA58
A	GLN100
A	ARG230
A	LEU301
A	GLY323
A	ARG324

---