Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3NN1

Structure of chlorite dismutase from Candidatus Nitrospira defluvii in complex with imidazole

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity
A	0020037	molecular_function	heme binding
A	0046872	molecular_function	metal ion binding
A	0050587	molecular_function	chlorite O2-lyase activity
B	0016491	molecular_function	oxidoreductase activity
B	0020037	molecular_function	heme binding
B	0046872	molecular_function	metal ion binding
B	0050587	molecular_function	chlorite O2-lyase activity
C	0016491	molecular_function	oxidoreductase activity
C	0020037	molecular_function	heme binding
C	0046872	molecular_function	metal ion binding
C	0050587	molecular_function	chlorite O2-lyase activity
D	0016491	molecular_function	oxidoreductase activity
D	0020037	molecular_function	heme binding
D	0046872	molecular_function	metal ion binding
D	0050587	molecular_function	chlorite O2-lyase activity
E	0016491	molecular_function	oxidoreductase activity
E	0020037	molecular_function	heme binding
E	0046872	molecular_function	metal ion binding
E	0050587	molecular_function	chlorite O2-lyase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM A 239

Chain	Residue
A	PRO108
A	ALA164
A	ARG173
A	PHE186
A	PHE190
A	LEU205
A	PHE217
A	PO4240
A	IMD243
A	HOH756
A	HOH865
A	THR109
A	TYR110
A	VAL111
A	ILE139
A	TRP145
A	MET157
A	HIS160
A	THR161

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 A 240

Chain	Residue
A	THR109
A	TYR110
A	TRP146
A	PHE186
A	HEM239
A	PO4241
A	HOH756
A	HOH799
C	ARG203

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 A 241

Chain	Residue
A	LYS106
A	HIS177
A	PHE186
A	PO4240
A	HOH519
A	HOH779
C	HIS199
C	ARG203

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 A 242

Chain	Residue
A	ARG215
A	ARG216
A	HOH409
A	HOH600
C	HIS219

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IMD A 243

Chain	Residue
A	LYS174
A	LEU175
A	HEM239
A	EDO244
A	EDO245

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 244

Chain	Residue
A	ARG173
A	IMD243
A	EDO245
A	HOH723

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 245

Chain	Residue
A	ARG173
A	LYS174
A	LEU175
A	IMD243
A	EDO244
A	HOH767

site_id	AC8
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM B 239

Chain	Residue
B	PRO108
B	THR109
B	TYR110
B	VAL111
B	ILE139
B	TRP145
B	MET157
B	HIS160
B	THR161
B	ALA164
B	TYR167
B	LEU168
B	ARG173
B	PHE186
B	PHE190
B	LEU205
B	PHE211
B	PO4241
B	IMD243
B	EDO245
B	HOH494

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 B 240

Chain	Residue
B	HIS199
B	ARG203
B	HOH485
B	HOH542
C	LYS106
C	HIS177
C	PHE186
C	PO4240

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 B 241

Chain	Residue
B	THR109
B	TYR110
B	TRP146
B	PHE186
B	HEM239
B	HOH262
B	HOH494
D	ARG203
D	PO4240

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 B 242

Chain	Residue
B	LYS140
B	ARG215
B	ARG216
B	HOH603
D	HIS219

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IMD B 243

Chain	Residue
B	LYS174
B	LEU175
B	HEM239
B	EDO244

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 244

Chain	Residue
B	ARG173
B	LYS174
B	LEU175
B	IMD243
B	EDO245
B	HOH762

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 245

Chain	Residue
B	LYS106
B	HIS177
B	HEM239
B	EDO244
B	HOH260
B	HOH673
B	HOH904

site_id	BC6
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM C 239

Chain	Residue
C	PRO108
C	THR109
C	TYR110
C	VAL111
C	ILE139
C	LYS141
C	TRP145
C	MET157
C	HIS160
C	THR161
C	ALA164
C	LEU168
C	ARG173
C	PHE186
C	PHE190
C	LEU205
C	PHE217
C	PO4240
C	IMD242
C	HOH668
C	HOH898

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 C 240

Chain	Residue
B	ARG203
B	PO4240
C	THR109
C	TYR110
C	TRP145
C	TRP146
C	PHE186
C	HEM239
C	HOH301
C	HOH668

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 C 241

Chain	Residue
B	HIS219
C	LYS140
C	ARG215
C	ARG216
C	HOH797

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IMD C 242

Chain	Residue
C	LYS174
C	LEU175
C	HEM239
C	EDO243
C	EDO244

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 243

Chain	Residue
C	ARG173
C	LYS174
C	LEU175
C	IMD242
C	EDO244
C	HOH514

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 244

Chain	Residue
C	LEU122
C	ARG173
C	IMD242
C	EDO243

site_id	CC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM D 239

Chain	Residue
D	PRO108
D	THR109
D	TYR110
D	VAL111
D	ILE139
D	TRP145
D	MET157
D	HIS160
D	THR161
D	ALA164
D	LEU168
D	ARG173
D	PHE186
D	PHE190
D	LEU205
D	PO4241
D	IMD243
D	HOH459
D	HOH870

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 D 240

Chain	Residue
B	LYS106
B	HIS177
B	PO4241
D	HIS199
D	ARG203
D	HOH495
D	HOH522

site_id	CC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 D 241

Chain	Residue
D	THR109
D	TYR110
D	TRP145
D	TRP146
D	PHE186
D	HEM239
D	HOH269
D	HOH870
E	ARG203
E	PO4241

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D 242

Chain	Residue
D	LYS140
D	ARG215
D	ARG216
D	HOH824
E	HIS219

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IMD D 243

Chain	Residue
D	ARG173
D	LYS174
D	LEU175
D	HEM239
D	EDO244

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 244

Chain	Residue
D	ARG173
D	LYS174
D	LEU175
D	IMD243
D	HOH994

site_id	CC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM E 239

Chain	Residue
E	PRO108
E	THR109
E	TYR110
E	VAL111
E	ILE139
E	TRP145
E	MET157
E	HIS160
E	THR161
E	ALA164
E	LEU168
E	ARG173
E	PHE186
E	PHE190
E	LEU205
E	PHE217
E	PO4240
E	IMD244
E	EDO245
E	HOH500
E	HOH643

site_id	DC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 E 240

Chain	Residue
A	ARG203
E	THR109
E	TYR110
E	TRP145
E	TRP146
E	PHE186
E	HEM239
E	PO4242
E	HOH643
E	HOH803

site_id	DC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 E 241

Chain	Residue
D	LYS106
D	HIS177
D	PHE186
D	PO4241
E	HIS199
E	ARG203
E	HOH526
E	HOH577

site_id	DC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 E 242

Chain	Residue
A	HIS199
A	ARG203
E	LYS106
E	HIS177
E	PHE186
E	PO4240
E	HOH515
E	HOH585

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 E 243

Chain	Residue
A	HIS219
E	LYS140
E	ARG215
E	ARG216
E	HOH284
E	HOH714

site_id	DC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IMD E 244

Chain	Residue
E	LYS174
E	LEU175
E	HEM239
E	EDO245
E	EDO246

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO E 245

Chain	Residue
E	ARG173
E	HEM239
E	IMD244
E	EDO246
E	HOH282

site_id	DC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO E 246

Chain	Residue
E	LYS174
E	LEU175
E	IMD244
E	EDO245
E	HOH290
E	HOH440

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