Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3NN2

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

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	21
Details	BINDING SITE FOR RESIDUE HEM A 239

Chain	Residue
A	PRO108
A	ALA164
A	LEU168
A	ARG173
A	PHE186
A	PHE190
A	LEU205
A	PHE211
A	PO4240
A	CYN245
A	GOL246
A	THR109
A	HOH290
A	HOH930
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	HOH256
A	HOH290
C	ARG203
C	PO4242

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 A 241

Chain	Residue
A	LYS140
A	ARG215
A	ARG216
A	HOH972
C	HIS219

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

Chain	Residue
A	HIS219
E	LYS140
E	ARG215
E	ARG216
E	HOH380

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 A 243

Chain	Residue
A	ARG194
A	LEU195
A	GLU196
A	HOH437
A	HOH802
A	HOH985
E	TYR13

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 A 244

Chain	Residue
A	HIS199
A	ARG203
A	HOH902
E	LYS106
E	HIS177
E	PO4240
E	HOH256
E	HOH274

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CYN A 245

Chain	Residue
A	HEM239
A	GOL246
A	HOH614

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 246

Chain	Residue
A	ARG173
A	HEM239
A	CYN245
A	HOH272
A	HOH579

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 247

Chain	Residue
A	GLN46
A	LYS50
A	HOH782

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 248

Chain	Residue
A	LYS41
A	PRO228
A	LEU229
A	ASP230
A	HOH320
A	HOH606
A	HOH728

site_id	BC2
Number of Residues	22
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	THR188
B	PHE190
B	LEU205
B	PHE217
B	PO4243
B	CYN244
B	HOH302
B	HOH927

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 B 240

Chain	Residue
D	HIS219
B	LYS140
B	ARG215
B	ARG216
B	HOH338

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 B 241

Chain	Residue
B	ARG194
B	LEU195
B	GLU196
B	HOH456
B	HOH630
B	HOH812
C	TYR13

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 B 242

Chain	Residue
B	HIS199
B	ARG203
B	HOH412
B	HOH532
C	LYS106
C	HIS177
C	PO4241
C	HOH257
C	HOH258

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 B 243

Chain	Residue
B	THR109
B	TYR110
B	TRP146
B	PHE186
B	HEM239
B	HOH291
B	HOH302
D	ARG203
D	PO4240

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CYN B 244

Chain	Residue
B	HEM239
B	GOL245
B	HOH356

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 245

Chain	Residue
B	ARG173
B	CYN244
B	HOH760
B	HOH929

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 246

Chain	Residue
B	GLU127
B	PRO132
B	THR170
B	GLU191
B	THR192
B	GLU193
B	ARG194

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 247

Chain	Residue
A	ILE35
A	ARG90
B	SER117
B	MET118
B	GLU121
B	GLN162

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 248

Chain	Residue
B	HIS219
B	HOH975
B	HOH1027
C	ASP183
C	ARG216

site_id	CC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM C 239

Chain	Residue
C	PRO108
C	THR109
C	TYR110
C	VAL111
C	TRP145
C	MET157
C	HIS160
C	THR161
C	ALA164
C	LEU168
C	ARG173
C	PHE186
C	THR188
C	PHE190
C	LEU205
C	PHE217
C	PO4241
C	CYN243
C	GOL244
C	GOL246
C	HOH303

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 C 240

Chain	Residue
B	HIS219
C	LYS140
C	ARG215
C	HOH791
C	HOH810
C	HOH919

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

Chain	Residue
B	ARG203
B	PO4242
C	THR109
C	TYR110
C	TRP145
C	TRP146
C	PHE186
C	HEM239
C	HOH303
C	HOH313

site_id	CC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 C 242

Chain	Residue
A	LYS106
A	HIS177
A	PHE186
A	PO4240
A	HOH267
A	HOH268
C	HIS199
C	ARG203
C	HOH700

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CYN C 243

Chain	Residue
C	HEM239
C	GOL244
C	HOH307

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 244

Chain	Residue
C	ARG173
C	HEM239
C	CYN243
C	GOL246

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 245

Chain	Residue
A	ASP183
A	ARG216
A	HOH766
C	HIS219
C	PRO220
C	HOH589

site_id	DC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 246

Chain	Residue
C	LYS106
C	PRO108
C	LEU175
C	HIS177
C	HEM239
C	GOL244
C	HOH291

site_id	DC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM D 239

Chain	Residue
D	PRO108
D	THR109
D	TYR110
D	VAL111
D	ILE137
D	ILE139
D	TRP145
D	MET157
D	HIS160
D	THR161
D	ALA164
D	LEU168
D	ARG173
D	PHE186
D	THR188
D	PHE190
D	LEU205
D	PO4242
D	CYN244
D	GOL245
D	HOH268
D	HOH573

site_id	DC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 D 240

Chain	Residue
B	LYS106
B	HIS177
B	PO4243
B	HOH273
B	HOH287
D	HIS199
D	ARG203
D	HOH249
D	HOH894
D	HOH986

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 D 241

Chain	Residue
D	LYS140
D	ARG215
D	ARG216
D	HOH267
D	HOH309
E	HIS219

site_id	DC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 D 242

Chain	Residue
D	THR109
D	TYR110
D	TRP145
D	TRP146
D	PHE186
D	HEM239
D	PO4243
D	HOH248
D	HOH573
E	ARG203

site_id	DC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 D 243

Chain	Residue
D	LYS106
D	HIS177
D	PO4242
D	HOH253
D	HOH257
D	HOH631
D	HOH1023
E	HIS199
E	ARG203

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CYN D 244

Chain	Residue
D	HEM239
D	GOL245
D	HOH829

site_id	DC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 245

Chain	Residue
D	PRO108
D	ARG173
D	LEU175
D	HEM239
D	CYN244
D	HOH265
D	HOH671

site_id	DC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 246

Chain	Residue
B	TYR13
B	THR75
B	LEU76
D	TYR133
D	GLU193
D	ARG194
D	LEU195

site_id	EC1
Number of Residues	23
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	LEU175
E	PHE186
E	THR188
E	PHE190
E	LEU201
E	LEU205
E	PHE211
E	PO4240
E	CYN242
E	HOH252
E	HOH296

site_id	EC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 E 240

Chain	Residue
A	ARG203
A	PO4244
E	THR109
E	TYR110
E	TRP146
E	PHE186
E	HEM239
E	HOH248
E	HOH296

site_id	EC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 E 241

Chain	Residue
D	TYR13
E	ARG194
E	LEU195
E	GLU196
E	HOH732

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CYN E 242

Chain	Residue
E	HEM239
E	GOL243
E	HOH635

site_id	EC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL E 243

Chain	Residue
E	PRO108
E	ARG173
E	CYN242
E	HOH645

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