Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3HZN

Structure of the Salmonella typhimurium nfnB dihydropteridine reductase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005829	cellular_component	cytosol
A	0016491	molecular_function	oxidoreductase activity
A	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
A	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
B	0005829	cellular_component	cytosol
B	0016491	molecular_function	oxidoreductase activity
B	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
B	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
C	0005829	cellular_component	cytosol
C	0016491	molecular_function	oxidoreductase activity
C	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
C	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
D	0005829	cellular_component	cytosol
D	0016491	molecular_function	oxidoreductase activity
D	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
D	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
E	0005829	cellular_component	cytosol
E	0016491	molecular_function	oxidoreductase activity
E	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
E	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
F	0005829	cellular_component	cytosol
F	0016491	molecular_function	oxidoreductase activity
F	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
F	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
G	0005829	cellular_component	cytosol
G	0016491	molecular_function	oxidoreductase activity
G	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
G	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
H	0005829	cellular_component	cytosol
H	0016491	molecular_function	oxidoreductase activity
H	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
H	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TLA A 218

Chain	Residue
A	ALA27
A	SER52
A	HIS80
A	HOH763
A	HOH783
A	HOH808
B	GLU216

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SIN A 219

Chain	Residue
A	LYS141
B	GLN137
B	LYS141
A	GLN137
A	ALA140

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SIN A 220

Chain	Residue
A	ARG59
A	LYS181
A	HOH248
A	HOH548

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN A 221

Chain	Residue
A	ARG97
A	ASP100
A	GLN101
A	HOH263
A	HOH624
B	LEU208
B	PRO209
B	THR212

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN A 222

Chain	Residue
A	THR69
A	PHE70
A	ARG73
C	ASP17
C	LYS20
C	HIS194
C	SER195
C	VAL196

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SIN A 223

Chain	Residue
A	ASP103
A	PHE108
A	THR110
A	PRO111
A	HOH775
D	ALA89
H	ARG73
H	GLU197
H	HOH718

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SIN A 224

Chain	Residue
A	THR32
A	GLN35
B	LEU210
B	FLC218

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MLI A 225

Chain	Residue
A	PHE16
A	ARG73
A	ASP77
A	SER195
A	GLU197
C	PHE70
C	ARG73
C	HOH251
C	HOH333

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MLI A 226

Chain	Residue
A	ASN71
A	LYS74
A	VAL162
A	PRO163
A	ILE164
A	GLU165
A	GLY166

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MLI A 227

Chain	Residue
A	ARG10
A	TYR11
A	SER12
A	ASN200
A	LYS205
A	ARG207
A	HOH264
B	ARG107
B	HOH680

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MLI A 228

Chain	Residue
A	GLN9
A	ALA201
A	LYS205

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 229

Chain	Residue
A	ARG10
A	TYR11
A	ALA161
A	HOH676

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FLC B 218

Chain	Residue
A	GLN35
A	SIN224
B	PRO209
B	LEU210
B	GLU211
B	HOH707

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TLA B 219

Chain	Residue
A	PHE124
A	HOH259
B	LYS14
B	ASN71
B	PRO163
B	ILE164
B	GLU165
B	GLY166
G	LYS119

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SIN B 220

Chain	Residue
A	VAL217
B	ARG59
B	PHE176
B	LYS181
B	HOH703

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SIN B 221

Chain	Residue
B	ALA201
B	LEU203

site_id	BC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SIN B 222

Chain	Residue
B	ARG10
B	TYR11
B	LEU151
B	VAL154
B	ALA155
B	LEU159
B	ASP160
B	ALA161
B	VAL162
B	HOH274

site_id	BC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MLI B 223

Chain	Residue
A	ARG107
B	ARG10
B	TYR11
B	SER12
B	LYS205
B	ARG207
B	HOH480
B	HOH743
B	HOH765

site_id	CC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MLI B 224

Chain	Residue
B	GLY202

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MLI B 225

Chain	Residue
A	LYS29
A	MSE157
B	MSE1
B	ASP2
B	ILE3
B	VAL4

site_id	CC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 226

Chain	Residue
B	ALA27

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE TLA C 218

Chain	Residue
C	GLU216
C	VAL217
D	SIN225

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE TLA C 219

Chain	Residue
C	ARG59
C	GLU175
C	PHE176
C	LYS181
C	HOH643

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SIN C 220

Chain	Residue
C	ALA27
C	SER52
C	HIS80
C	HOH693
D	GLU216

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SIN C 221

Chain	Residue
C	ALA58
C	ALA61
C	LYS62
C	GLU72

site_id	CC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SIN C 222

Chain	Residue
C	ARG10
C	TYR11
C	LEU151
C	ALA155
C	LEU159
C	ASP160
C	ALA161
C	VAL162
C	PRO163
C	HOH255

site_id	CC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SIN C 223

Chain	Residue
C	ALA86
C	LYS87
C	HIS136
C	THR184
C	SIN224
C	HOH509
C	HOH600

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SIN C 224

Chain	Residue
C	GLU165
C	LEU186
C	SIN223
C	HOH277
D	ASP134
D	LYS141

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SIN C 225

Chain	Residue
C	GLU26
C	LYS29
C	MSE157
C	HOH807
D	MSE1

site_id	DC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SIN C 226

Chain	Residue
C	GLU96
C	VAL99
C	ASP100
C	LYS114
C	ALA115
C	ASP118
C	HOH262
C	HOH268
C	HOH716
F	THR69
F	PHE70
F	HOH246

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SIN C 227

Chain	Residue
C	THR212
D	ARG97
D	TYR183
D	HOH276
D	HOH732

site_id	DC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SIN C 228

Chain	Residue
C	ASP103
C	ALA104
C	ASP105
C	GLY106
C	GLY106
C	HOH471
C	HOH471

site_id	DC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MLI C 229

Chain	Residue
C	ARG10
C	TYR11
C	SER12
C	ASN200
C	LYS205
C	ARG207
C	HOH628
D	CL231

site_id	DC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MLI C 230

Chain	Residue
C	MSE1
C	ASP2
D	MSE1
F	GLN9
F	HOH809

site_id	DC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MLI C 231

Chain	Residue
C	PHE70
C	ASN71
C	PRO163
C	ILE164
C	GLU165
C	GLY166
C	HOH358
C	HOH749
D	SER40

site_id	DC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MLI C 232

Chain	Residue
C	VAL6
C	GLN9
C	ARG10
C	ALA155
C	GLY158
C	LEU159
C	HOH481
C	HOH742
C	HOH762

site_id	EC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT C 233

Chain	Residue
C	ALA201
C	LYS205

site_id	EC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 234

Chain	Residue
C	PRO209
C	LEU210
D	GLN35

site_id	EC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL C 235

Chain	Residue
C	LYS205
C	SER206
C	ARG207
C	HOH628
D	CL231

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 236

Chain	Residue
C	ARG97
C	HOH677
D	THR212

site_id	EC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL C 237

Chain	Residue
C	ALA93
C	TRP94
C	ARG97
C	HOH675

site_id	EC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA C 238

Chain	Residue
C	THR53
C	GLU54
C	GLU55

site_id	EC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TLA D 218

Chain	Residue
C	PHE124
D	LYS14
D	PHE70
D	ASN71
D	LYS74
D	VAL162
D	PRO163
D	ILE164
D	GLU165
D	GLY166
D	HOH240

site_id	EC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN D 219

Chain	Residue
D	ARG10
D	TYR11
D	SER12
D	LYS205
D	ARG207
D	HOH482
D	HOH521
D	HOH767

site_id	EC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SIN D 220

Chain	Residue
D	TYR68
D	GLU165
D	PHE167
D	ALA169

site_id	FC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN D 221

Chain	Residue
D	ASP2
D	SER5
D	VAL6
D	GLN9
D	ALA155
D	MLI228
D	HOH759
F	GLY202

site_id	FC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SIN D 222

Chain	Residue
D	ARG59
D	PHE176

site_id	FC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SIN D 223

Chain	Residue
D	ARG10
D	TYR11
D	SER12
D	LEU151
D	ALA155
D	LEU159
D	ALA161
D	VAL162
D	PRO163
D	HOH758

site_id	FC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SIN D 224

Chain	Residue
D	LYS14
D	PHE70
D	LYS74
D	HOH439
E	PRO111
E	ALA115
E	HOH800

site_id	FC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN D 225

Chain	Residue
C	GLU216
C	TLA218
D	ALA27
D	LYS31
D	VAL50
D	SER52
D	HIS80
D	HOH461

site_id	FC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MLI D 226

Chain	Residue
D	LYS87
D	HIS136
D	LEU186
D	HOH556
H	VAL196

site_id	FC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MLI D 227

Chain	Residue
C	LYS31
D	LEU210
D	GLU211
D	LEU214
D	GLU216

site_id	FC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE MLI D 228

Chain	Residue
D	GLN9
D	ALA155
D	GLY158
D	LEU159
D	ASP160
D	SIN221
D	HOH363
D	HOH444
D	HOH745
D	HOH759

site_id	FC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT D 229

Chain	Residue
D	ASP173
D	GLY177
D	LEU178
D	LYS179
D	GLU180
D	HOH529
H	PHE199

site_id	GC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 230

Chain	Residue
C	TYR36
C	HOH691
D	ALA7
D	ARG10

site_id	GC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL D 231

Chain	Residue
C	MLI229
C	CL235
D	ASN42
D	GLU102
D	ARG107

site_id	GC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SIN E 218

Chain	Residue
E	ARG10
E	TYR11
E	SER12
E	ASN200
E	LYS205
E	ARG207
E	HOH469
F	ARG107
F	HOH460
F	HOH489
F	HOH733

site_id	GC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SIN E 219

Chain	Residue
E	SER52
E	HIS80

site_id	GC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SIN E 220

Chain	Residue
E	GLN9
E	ALA201

site_id	GC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SIN E 221

Chain	Residue
E	ARG59
E	PHE176
E	LYS181

site_id	GC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SIN E 222

Chain	Residue
E	GLN137
E	LYS141
E	HOH417
F	GLN137

site_id	GC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MLI E 223

Chain	Residue
E	MSE1
E	ASP2
E	ILE3
E	HOH229
F	LYS29
F	ALA156
F	MSE157
F	MLI224

site_id	GC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL E 224

Chain	Residue
E	ARG97
E	HOH254

site_id	HC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL E 225

Chain	Residue
E	GLY166

site_id	HC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA E 226

Chain	Residue
E	LYS181

site_id	HC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE FLC F 218

Chain	Residue
E	ARG107
E	HOH679
F	ARG10
F	TYR11
F	SER12
F	LYS14
F	ASN200
F	LYS205
F	ARG207
F	CL225
F	HOH746

site_id	HC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TLA F 219

Chain	Residue
C	LYS119
E	PHE124
E	HOH420
F	LYS14
F	ASN71
F	LYS74
F	VAL162
F	PRO163
F	ILE164
F	GLU165
F	GLY166

site_id	HC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SIN F 220

Chain	Residue
E	GLU216
E	HOH411
F	ALA27
F	HIS80

site_id	HC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SIN F 221

Chain	Residue
F	ARG59
F	LYS181
F	SIN222

site_id	HC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SIN F 222

Chain	Residue
F	GLU175
F	SIN221

site_id	HC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SIN F 223

Chain	Residue
E	MSE127
F	TYR68
F	PHE167
F	ASP168
F	ALA169
F	GLU170

site_id	HC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MLI F 224

Chain	Residue
E	MSE1
E	MLI223
F	ALA156

site_id	IC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL F 225

Chain	Residue
E	ARG107
E	HOH679
F	LYS205
F	SER206
F	ARG207
F	FLC218

site_id	IC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SIN G 218

Chain	Residue
G	ARG59
G	PHE176

site_id	IC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SIN G 219

Chain	Residue
G	ALA201

site_id	IC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN G 220

Chain	Residue
A	ALA116
G	ALA113
G	ALA116
G	ASN117
G	HOH523
G	HOH670
G	HOH704
G	HOH737

site_id	IC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SIN G 221

Chain	Residue
G	ALA27
G	LYS31
G	VAL50
G	SER52
G	HIS80
G	MLI224
H	GLU216

site_id	IC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SIN G 222

Chain	Residue
G	MSE1
G	ASP2
G	ILE3
H	LYS29
H	ALA156
H	MSE157

site_id	IC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE MLI G 223

Chain	Residue
G	ARG10
G	TYR11
G	SER12
G	ASN200
G	LYS205
G	ARG207
G	HOH727
G	HOH731
G	HOH790
H	HOH728

site_id	IC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MLI G 224

Chain	Residue
G	SER52
G	SIN221

site_id	IC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT G 225

Chain	Residue
G	PRO209
G	LEU210
G	HOH416
H	GLN35

site_id	JC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL G 226

Chain	Residue
G	ASN71
G	GLY166

site_id	JC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TLA H 218

Chain	Residue
A	LYS119
G	PHE124
H	LYS14
H	ASN71
H	LYS74
H	PRO163
H	ILE164
H	GLU165
H	GLY166
H	HOH730

site_id	JC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SIN H 219

Chain	Residue
A	PRO111
A	GLU112
A	ALA115
A	HOH526
H	LYS14
H	PHE70
H	ASN71
H	GLU72
H	ARG73
H	LYS74
H	HOH713
H	HOH724

site_id	JC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SIN H 220

Chain	Residue
G	GLU216
H	ALA27
H	LYS31
H	HOH669

site_id	JC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SIN H 221

Chain	Residue
H	ALA201
H	LEU203
H	HOH465

site_id	JC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SIN H 222

Chain	Residue
H	THR23
H	GLU25

site_id	JC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SIN H 223

Chain	Residue
H	ARG59
H	LYS181

site_id	JC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MLI H 224

Chain	Residue
G	ARG107
H	ARG10
H	TYR11
H	SER12
H	LYS205
H	ARG207
H	HOH247
H	HOH322
H	HOH721

site_id	JC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA H 225

Chain	Residue
G	GLN35
H	LEU210

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	ARG10
D	ARG10
D	GLU165
D	LYS205
E	ARG10
E	GLU165
E	LYS205
F	ARG10
F	GLU165
F	LYS205
G	ARG10
A	GLU165
G	GLU165
G	LYS205
H	ARG10
H	GLU165
H	LYS205
A	LYS205
B	ARG10
B	GLU165
B	LYS205
C	ARG10
C	GLU165
C	LYS205

site_id	SWS_FT_FI2
Number of Residues	40
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:Q01234

Chain	Residue	Details
A	LYS14
B	ARG107
C	LYS14
C	THR41
C	ASN71
C	LYS74
C	ARG107
D	LYS14
D	THR41
D	ASN71
D	LYS74
A	THR41
D	ARG107
E	LYS14
E	THR41
E	ASN71
E	LYS74
E	ARG107
F	LYS14
F	THR41
F	ASN71
F	LYS74
A	ASN71
F	ARG107
G	LYS14
G	THR41
G	ASN71
G	LYS74
G	ARG107
H	LYS14
H	THR41
H	ASN71
H	LYS74
A	LYS74
H	ARG107
A	ARG107
B	LYS14
B	THR41
B	ASN71
B	LYS74

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)