2C0U

Crystal Structure of a Covalent Complex of Nitroalkane Oxidase Trapped During Substrate Turnover

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	34
Details	BINDING SITE FOR RESIDUE FAD A1432

Chain	Residue
A	LEU131
A	SER171
A	LEU400
A	PHE401
A	ASP402
A	GLY403
A	GLY404
A	ILE406
A	GLY407
A	ARG411
A	NBT1433
A	HIS133
A	HOH2032
A	HOH2153
A	HOH2170
A	HOH2171
B	ARG304
B	ILE310
B	HIS313
B	VAL316
B	LYS375
B	ALA376
A	SER134
B	VAL377
B	GLY378
B	MSE379
B	HOH2153
C	GLN314
A	GLY138
A	THR139
A	ALA140
A	ASN141
A	TRP169
A	PRO170

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE NBT A1433

Chain	Residue
A	VAL95
A	ALA96
A	LEU99
A	SER171
A	SER276
A	PHE401
A	ASP402
A	FAD1432

---

site_id	AC3
Number of Residues	33
Details	BINDING SITE FOR RESIDUE FAD B1432

Chain	Residue
A	ARG304
A	ILE310
A	HIS313
A	VAL316
A	LYS375
A	ALA376
A	VAL377
A	GLY378
A	MSE379
A	HOH2144
B	LEU99
B	LEU131
B	HIS133
B	SER134
B	GLY138
B	THR139
B	ALA140
B	ASN141
B	TRP169
B	SER171
B	LEU400
B	PHE401
B	ASP402
B	GLY403
B	GLY404
B	ILE406
B	GLY407
B	NBT1433
B	HOH2161
B	HOH2173
B	HOH2174
B	HOH2175
D	GLN314

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE NBT B1433

Chain	Residue
B	ILE92
B	VAL95
B	ALA96
B	LEU99
B	SER171
B	PHE401
B	ASP402
B	FAD1432

---

site_id	AC5
Number of Residues	31
Details	BINDING SITE FOR RESIDUE FAD C1432

Chain	Residue
C	NBT1433
C	HOH2179
C	HOH2202
C	HOH2203
C	HOH2204
D	ARG304
D	ILE310
D	HIS313
D	VAL316
D	LYS375
D	ALA376
D	VAL377
D	GLY378
D	MSE379
D	HOH2115
A	GLN314
C	LEU131
C	HIS133
C	SER134
C	GLY138
C	THR139
C	ALA140
C	ASN141
C	TRP169
C	SER171
C	LEU400
C	PHE401
C	ASP402
C	GLY403
C	GLY404
C	GLY407

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE NBT C1433

Chain	Residue
C	VAL95
C	ALA96
C	LEU99
C	SER171
C	SER276
C	PHE401
C	ASP402
C	FAD1432

---

site_id	AC7
Number of Residues	32
Details	BINDING SITE FOR RESIDUE FAD D1432

Chain	Residue
B	GLN314
C	ARG304
C	ILE310
C	HIS313
C	VAL316
C	LYS375
C	ALA376
C	VAL377
C	GLY378
C	MSE379
D	LEU131
D	HIS133
D	SER134
D	GLY138
D	THR139
D	ALA140
D	ASN141
D	TRP169
D	SER171
D	LEU400
D	PHE401
D	ASP402
D	GLY403
D	GLY404
D	GLY407
D	ARG411
D	NBT1433
D	HOH2137
D	HOH2139
D	HOH2140
D	HOH2141
D	HOH2142

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NBT D1433

Chain	Residue
D	VAL95
D	ALA96
D	LEU99
D	SER171
D	PHE401
D	ASP402
D	FAD1432

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	40
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 3mdd

Chain	Residue	Details
A	ASP402

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 3mdd

Chain	Residue	Details
B	ASP402

---

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 3mdd

Chain	Residue	Details
C	ASP402

---

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 3mdd

Chain	Residue	Details
D	ASP402

---