4F8Y

Complex structure of NADPH:quinone oxidoreductase with menadione in Streptococcus mutans

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
A	0005829	cellular_component	cytosol
A	0016491	molecular_function	oxidoreductase activity
B	0000166	molecular_function	nucleotide binding
B	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
B	0005829	cellular_component	cytosol
B	0016491	molecular_function	oxidoreductase activity
C	0000166	molecular_function	nucleotide binding
C	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
C	0005829	cellular_component	cytosol
C	0016491	molecular_function	oxidoreductase activity
D	0000166	molecular_function	nucleotide binding
D	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
D	0005829	cellular_component	cytosol
D	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	28
Details	BINDING SITE FOR RESIDUE FAD A 201

Chain	Residue
A	HIS9
A	SER86
A	THR127
A	HIS128
A	ASN129
A	THR130
A	TYR141
A	ILE166
A	GLU167
A	ARG174
A	HOH311
A	SER14
A	HOH365
A	HOH415
A	HOH418
A	HOH452
B	LEU47
B	ARG55
B	VK3202
B	HOH306
B	HOH358
A	PHE15
A	ASN16
A	GLU18
A	PRO82
A	ILE83
A	TRP84
A	TRP85

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site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE VK3 A 202

Chain	Residue
A	ARG55
A	TYR106
A	TYR108
A	LEU113
A	HOH344
A	HOH389
A	HOH438
B	TRP85
B	FAD201

---

site_id	AC3
Number of Residues	33
Details	BINDING SITE FOR RESIDUE FAD B 201

Chain	Residue
A	LEU47
A	ARG55
A	VK3202
A	HOH303
A	HOH333
A	HOH372
B	HIS9
B	SER14
B	PHE15
B	ASN16
B	GLU18
B	PRO82
B	ILE83
B	TRP84
B	TRP85
B	SER86
B	THR127
B	HIS128
B	ASN129
B	THR130
B	TYR141
B	GLU167
B	ASP171
B	ARG174
B	GLN175
B	HOH318
B	HOH319
B	HOH322
B	HOH328
B	HOH330
B	HOH352
B	HOH386
B	HOH391

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE VK3 B 202

Chain	Residue
A	TRP85
A	ASN129
A	FAD201
A	HOH419
A	HOH451
B	TYR106
B	TYR108
B	LEU113
B	HOH402

---

site_id	AC5
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FAD C 201

Chain	Residue
C	HOH419
C	HOH424
C	HOH468
D	ARG55
D	VK3202
C	HIS9
C	SER14
C	PHE15
C	ASN16
C	GLU18
C	ILE83
C	TRP84
C	TRP85
C	SER86
C	THR127
C	HIS128
C	ASN129
C	THR130
C	TYR141
C	GLU167
C	ARG174
C	HOH327
C	HOH333
C	HOH352
C	HOH399

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE VK3 C 202

Chain	Residue
C	ARG55
C	TYR106
C	TYR108
C	HOH420
C	HOH433
C	HOH446
C	HOH447
C	HOH463
C	HOH464
D	TRP85
D	ASN129
D	FAD201

---

site_id	AC7
Number of Residues	27
Details	BINDING SITE FOR RESIDUE FAD D 201

Chain	Residue
C	LEU47
C	ARG55
C	VK3202
C	HOH371
D	HIS9
D	SER14
D	PHE15
D	ASN16
D	GLU18
D	PRO82
D	ILE83
D	TRP84
D	TRP85
D	SER86
D	THR127
D	HIS128
D	ASN129
D	THR130
D	TYR141
D	GLU167
D	ASP171
D	ARG174
D	HOH308
D	HOH320
D	HOH354
D	HOH363
D	HOH408

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE VK3 D 202

Chain	Residue
C	LYS110
C	FAD201
C	HOH333
C	HOH427
C	HOH443
D	ARG55
D	TYR106
D	TYR108
D	LEU113
D	HOH392

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