Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3OF4

Crystal structure of a FMN/FAD- and NAD(P)H-dependent nitroreductase (nfnB, IL2077) from Idiomarina loihiensis L2TR at 1.90 A resolution

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE FMN A 250

Chain	Residue
A	ARG10
A	GLY157
A	LYS196
A	ARG198
A	GOL323
B	ALA37
B	SER38
B	SER39
B	GLY41
B	GLN133
B	ILE136
A	TYR11
A	ALA12
A	GLN66
A	LYS68
A	CYS153
A	PRO154
A	MSE155
A	GLU156

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 304

Chain	Residue
A	ILE158
A	HIS160
A	ASP161
A	HOH441

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 305

Chain	Residue
A	HIS20
A	THR22
A	ASP23
A	HOH412

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 306

Chain	Residue
A	ALA84
A	VAL85
A	GLN119
A	HOH419
C	HOH531

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 310

Chain	Residue
A	ARG51
A	ASN52
A	HOH388
B	LEU208

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 317

Chain	Residue
A	ARG100
A	HOH440
A	HOH573
B	HOH372

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 318

Chain	Residue
A	THR103
A	ASN104
A	GLU105

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 321

Chain	Residue
A	ARG34
A	GLU95
A	GLN99
B	GLN8
B	LYS196
B	ARG198

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 322

Chain	Residue
A	GLN8
A	TRP9
A	ARG10
A	ARG185
A	GLN192
A	LYS196
A	GOL323

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 323

Chain	Residue
A	TYR11
A	THR191
A	GLN194
A	LYS196
A	FMN250
A	GOL322
B	ARG100

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL A 324

Chain	Residue
A	HOH587

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 328

Chain	Residue
A	GLN8
A	HOH416
B	ARG34

site_id	BC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE FMN B 250

Chain	Residue
A	ALA37
A	SER38
A	SER39
A	GLY41
A	ILE136
A	HOH573
B	ARG10
B	TYR11
B	ALA12
B	GLN66
B	LYS68
B	CYS153
B	PRO154
B	MSE155
B	GLU156
B	GLY157
B	LYS196
B	ARG198
B	HOH372
B	HOH522
B	HOH547

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 300

Chain	Residue
B	GLN116
B	ILE158
B	HIS160
B	ASP161
B	HOH624

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 309

Chain	Residue
B	SER122
B	ALA123
B	HOH471
B	HOH641
B	HOH654

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 311

Chain	Residue
B	GLN66
B	GLN67
B	LYS68
B	HOH422
B	GLY65

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT B 313

Chain	Residue
B	VAL85
B	GLN119
B	HOH539

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 314

Chain	Residue
B	LYS5
B	LEU6
B	TRP9
B	ALA146
B	GLU147
B	GLU149

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 315

Chain	Residue
B	GLN8
B	TRP9
B	ARG10
B	ARG185
B	GLN192
B	LYS196
B	HOH582

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 327

Chain	Residue
B	SER17
B	SER186
B	GLU187
B	HOH642

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL B 329

Chain	Residue
B	GLN58
B	ASN61
B	HIS62

site_id	CC4
Number of Residues	22
Details	BINDING SITE FOR RESIDUE FAD C 250

Chain	Residue
C	ALA12
C	SER38
C	SER39
C	TYR40
C	GLY41
C	GLN66
C	LYS68
C	TYR113
C	LYS117
C	GLN133
C	CYS153
C	PRO154
C	MSE155
C	GLU156
C	GLY157
C	HOH367
C	HOH418
C	HOH484
C	HOH656
C	HOH676
C	HOH677
C	HOH687

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 C 251

Chain	Residue
C	ARG10
C	TYR11
C	ALA12
C	LYS196
C	ARG198
C	GOL320
C	HOH367
C	HOH615

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 301

Chain	Residue
A	SER17
A	GLY18
C	SER17
C	GLY18

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 302

Chain	Residue
C	ILE158
C	GLU159
C	HIS160
C	ASP161
C	HOH359

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 303

Chain	Residue
C	GLN66
C	GLN67
C	LYS68
C	HOH548

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 307

Chain	Residue
C	ALA84
C	VAL85
C	GLN119
C	HOH458

site_id	DC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 308

Chain	Residue
C	ALA123
C	HOH377
C	HOH459

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 312

Chain	Residue
C	HIS20
C	THR22
C	ASP23
C	HOH679

site_id	DC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 316

Chain	Residue
C	GLN8
C	TRP9
C	ARG10
C	ARG185
C	GLN192
C	LYS196
C	GOL320

site_id	DC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 319

Chain	Residue
C	ARG34
C	GLU95
C	GLN99
C	LYS196
C	VAL197
C	ARG198
C	HOH534

site_id	DC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 320

Chain	Residue
C	ARG100
C	THR191
C	GLN194
C	LYS196
C	SO4251
C	GOL316
C	HOH335

site_id	DC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 325

Chain	Residue
C	MSE121
C	THR125
C	ARG132
C	GLU156
C	HOH384
C	HOH409
C	HOH465
C	HOH676

site_id	DC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 326

Chain	Residue
C	LYS127
C	ARG132
C	HIS160
C	THR176
C	VAL177
C	HOH429
C	HOH646
C	HOH680

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