Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2C12

Crystal Structure of Nitroalkane Oxidase in Complex with Spermine, a Competitive Inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003995	molecular_function	acyl-CoA dehydrogenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
A	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
A	0046359	biological_process	butyrate catabolic process
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0052664	molecular_function	nitroalkane oxidase activity
A	0071949	molecular_function	FAD binding
A	0098754	biological_process	detoxification
B	0000166	molecular_function	nucleotide binding
B	0003995	molecular_function	acyl-CoA dehydrogenase activity
B	0016491	molecular_function	oxidoreductase activity
B	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
B	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
B	0046359	biological_process	butyrate catabolic process
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0052664	molecular_function	nitroalkane oxidase activity
B	0071949	molecular_function	FAD binding
B	0098754	biological_process	detoxification
C	0000166	molecular_function	nucleotide binding
C	0003995	molecular_function	acyl-CoA dehydrogenase activity
C	0016491	molecular_function	oxidoreductase activity
C	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
C	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
C	0046359	biological_process	butyrate catabolic process
C	0050660	molecular_function	flavin adenine dinucleotide binding
C	0052664	molecular_function	nitroalkane oxidase activity
C	0071949	molecular_function	FAD binding
C	0098754	biological_process	detoxification
D	0000166	molecular_function	nucleotide binding
D	0003995	molecular_function	acyl-CoA dehydrogenase activity
D	0016491	molecular_function	oxidoreductase activity
D	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
D	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
D	0046359	biological_process	butyrate catabolic process
D	0050660	molecular_function	flavin adenine dinucleotide binding
D	0052664	molecular_function	nitroalkane oxidase activity
D	0071949	molecular_function	FAD binding
D	0098754	biological_process	detoxification
E	0000166	molecular_function	nucleotide binding
E	0003995	molecular_function	acyl-CoA dehydrogenase activity
E	0016491	molecular_function	oxidoreductase activity
E	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
E	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
E	0046359	biological_process	butyrate catabolic process
E	0050660	molecular_function	flavin adenine dinucleotide binding
E	0052664	molecular_function	nitroalkane oxidase activity
E	0071949	molecular_function	FAD binding
E	0098754	biological_process	detoxification
F	0000166	molecular_function	nucleotide binding
F	0003995	molecular_function	acyl-CoA dehydrogenase activity
F	0016491	molecular_function	oxidoreductase activity
F	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
F	0033539	biological_process	fatty acid beta-oxidation using acyl-CoA dehydrogenase
F	0046359	biological_process	butyrate catabolic process
F	0050660	molecular_function	flavin adenine dinucleotide binding
F	0052664	molecular_function	nitroalkane oxidase activity
F	0071949	molecular_function	FAD binding
F	0098754	biological_process	detoxification

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SPM B 1433

Chain	Residue
B	MET70
B	HOH2201
B	GLU76
B	VAL95
B	ALA98
B	SER276
B	LEU279
B	PHE401
B	ASP402
B	FAD1432

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SPM C 1434

Chain	Residue
C	MET70
C	LEU73
C	GLU76
C	VAL95
C	LEU99
C	MET102
C	PHE273
C	SER276
C	LEU279
C	ASP402
C	FAD1433
C	HOH2164

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SPM D 1434

Chain	Residue
D	MET70
D	GLU76
D	VAL95
D	ALA98
D	MET102
D	SER276
D	LEU279
D	PHE401
D	ASP402
D	FAD1433

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SPM F 1433

Chain	Residue
F	MET70
F	LEU73
F	GLU76
F	VAL95
F	MET102
F	SER276
F	PHE401
F	ASP402
F	FAD1432
F	HOH2199

site_id	AC5
Number of Residues	36
Details	BINDING SITE FOR RESIDUE FAD A 1432

Chain	Residue
A	LEU131
A	HIS133
A	SER134
A	GLY138
A	THR139
A	ALA140
A	ASN141
A	TRP169
A	PRO170
A	SER171
A	LEU400
A	PHE401
A	ASP402
A	GLY403
A	GLY404
A	ILE406
A	GLY407
A	HOH2078
A	HOH2179
A	HOH2190
A	HOH2191
A	HOH2192
A	HOH2194
A	HOH2195
B	ARG304
B	ILE310
B	HIS313
B	VAL316
B	LYS375
B	ALA376
B	VAL377
B	GLY378
B	MET379
B	HOH2166
B	HOH2167
C	GLN314

site_id	AC6
Number of Residues	37
Details	BINDING SITE FOR RESIDUE FAD B 1432

Chain	Residue
B	ASP402
B	GLY403
B	GLY404
B	ILE406
B	GLY407
B	LEU408
B	ARG411
B	SPM1433
B	HOH2079
B	HOH2195
B	HOH2196
B	HOH2197
B	HOH2198
B	HOH2199
B	HOH2200
D	GLN314
A	ARG304
A	ILE310
A	HIS313
A	VAL316
A	LYS375
A	ALA376
A	VAL377
A	GLY378
A	MET379
B	LEU131
B	HIS133
B	SER134
B	GLY138
B	THR139
B	ALA140
B	ASN141
B	TRP169
B	PRO170
B	SER171
B	LEU400
B	PHE401

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PE4 B 1436

Chain	Residue
B	LEU341
B	GLU342
B	LYS351
B	HOH2204
B	HOH2206
B	HOH2207

site_id	AC8
Number of Residues	35
Details	BINDING SITE FOR RESIDUE FAD C 1433

Chain	Residue
A	GLN314
C	LEU131
C	HIS133
C	SER134
C	GLY138
C	THR139
C	ALA140
C	ASN141
C	TRP169
C	PRO170
C	SER171
C	LEU400
C	PHE401
C	ASP402
C	GLY403
C	GLY404
C	ILE406
C	GLY407
C	ARG411
C	SPM1434
C	HOH2065
C	HOH2160
C	HOH2161
C	HOH2162
C	HOH2163
D	ARG304
D	ILE310
D	HIS313
D	VAL316
D	LYS375
D	ALA376
D	VAL377
D	GLY378
D	MET379
D	HOH2130

site_id	AC9
Number of Residues	35
Details	BINDING SITE FOR RESIDUE FAD D 1433

Chain	Residue
B	GLN314
C	ARG304
C	ILE310
C	HIS313
C	VAL316
C	LYS375
C	ALA376
C	VAL377
C	GLY378
C	MET379
C	HOH2131
D	LEU131
D	HIS133
D	SER134
D	GLY138
D	THR139
D	ALA140
D	ASN141
D	TRP169
D	PRO170
D	SER171
D	LEU400
D	PHE401
D	ASP402
D	GLY403
D	GLY404
D	ILE406
D	GLY407
D	LEU408
D	SPM1434
D	HOH2154
D	HOH2155
D	HOH2156
D	HOH2157
D	HOH2158

site_id	BC1
Number of Residues	36
Details	BINDING SITE FOR RESIDUE FAD E 1432

Chain	Residue
E	LEU131
E	HIS133
E	SER134
E	GLY138
E	THR139
E	ALA140
E	ASN141
E	TRP169
E	PRO170
E	SER171
E	THR240
E	GLN314
E	LEU400
E	PHE401
E	ASP402
E	GLY403
E	GLY404
E	ILE406
E	GLY407
E	ARG411
E	HOH2178
E	HOH2179
E	HOH2180
E	HOH2181
E	HOH2182
E	HOH2183
E	HOH2184
F	ARG304
F	ILE310
F	HIS313
F	VAL316
F	LYS375
F	ALA376
F	VAL377
F	GLY378
F	MET379

site_id	BC2
Number of Residues	35
Details	BINDING SITE FOR RESIDUE FAD F 1432

Chain	Residue
E	ARG304
E	ILE310
E	HIS313
E	VAL316
E	LYS375
E	ALA376
E	VAL377
E	GLY378
E	MET379
E	HOH2154
F	LEU131
F	HIS133
F	SER134
F	GLY138
F	THR139
F	ALA140
F	ASN141
F	TRP169
F	PRO170
F	SER171
F	GLN314
F	LEU400
F	PHE401
F	ASP402
F	GLY403
F	GLY404
F	ILE406
F	GLY407
F	LEU408
F	ARG411
F	SPM1433
F	HOH2195
F	HOH2196
F	HOH2197
F	HOH2198

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PE4 F 1435

Chain	Residue
F	LEU341
F	GLU342
F	LYS351
F	HOH2203
F	HOH2204
F	HOH2205

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1433

Chain	Residue
A	GLU71
A	GLU342
A	HOH2030

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1434

Chain	Residue
B	ILE360
B	ASP364
B	ARG410
B	GOL1435
B	HOH2163
B	HOH2202
B	HOH2203
D	ASP322

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1435

Chain	Residue
A	LYS375
B	ASP364
B	GLU368
B	GOL1434
B	HOH2162
B	HOH2163
B	HOH2202
B	HOH2203

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 1432

Chain	Residue
A	ILE360
A	ASP364
C	ASP322
C	ARG326

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1435

Chain	Residue
A	ASP322
A	ILE325
C	ILE360
C	ASP364
C	ARG410

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1436

Chain	Residue
A	VAL2
C	GLN10
C	SER72
C	VAL74
C	GLU342

site_id	CC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 1437

Chain	Residue
C	ILE371
C	ASP372
C	LYS375
C	HOH2127
C	HOH2132
D	ASP364
D	VAL367
D	GLU368
D	GOL1432

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 1432

Chain	Residue
C	GLU368
C	GOL1437
C	HOH2125
D	ASP372
D	LYS375
D	HOH2127
D	HOH2153

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D 1435

Chain	Residue
D	THR26
D	SER29
D	VAL86
D	HOH2159

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D 1436

Chain	Residue
B	ASP322
D	ILE360
D	ASP364
D	ARG410

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 1437

Chain	Residue
D	ALA13
D	HIS16
D	ALA17
D	ILE79
D	HOH2024

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL E 1433

Chain	Residue
E	ASP322
E	ILE360
E	ASP364
E	ARG410

site_id	CC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL E 1434

Chain	Residue
E	GLU368
E	ILE371
E	ASP372
E	LYS375
E	GOL1435
E	HOH2185
E	HOH2186
F	GLU368
F	HOH2164

site_id	CC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL E 1435

Chain	Residue
E	LYS319
E	ARG326
E	ASP372
E	LYS375
E	GOL1434
E	HOH2151
E	HOH2186
E	HOH2187
F	HOH2200

site_id	CC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL F 1434

Chain	Residue
F	ASP322
F	ILE325
F	TYR361
F	ASP364
F	ARG410
F	HOH2147
F	HOH2200
F	HOH2201
F	HOH2202

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"11867731","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"12862464","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16430210","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	102
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16430210","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17994768","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19926855","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
A	SER276

site_id	CSA10
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
D	ASP402

site_id	CSA11
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
E	ASP402

site_id	CSA12
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
F	ASP402

site_id	CSA13
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
A	GLY281

site_id	CSA14
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
B	GLY281

site_id	CSA15
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
C	GLY281

site_id	CSA16
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
D	GLY281

site_id	CSA17
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
E	GLY281

site_id	CSA18
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
F	GLY281

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
B	SER276

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
C	SER276

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
D	SER276

site_id	CSA5
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
E	SER276

site_id	CSA6
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
F	SER276

site_id	CSA7
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
A	ASP402

site_id	CSA8
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
B	ASP402

site_id	CSA9
Number of Residues	1
Details	Annotated By Reference To The Literature 1ivh

Chain	Residue	Details
C	ASP402

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