3X0Y

Crystal structure of FMN-bound DszC from Rhodococcus erythropolis D-1

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004497	molecular_function	monooxygenase activity
A	0005737	cellular_component	cytoplasm
A	0006552	biological_process	L-leucine catabolic process
A	0008470	molecular_function	isovaleryl-CoA dehydrogenase activity
A	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
A	0018896	biological_process	dibenzothiophene catabolic process
A	0050660	molecular_function	flavin adenine dinucleotide binding
B	0000166	molecular_function	nucleotide binding
B	0004497	molecular_function	monooxygenase activity
B	0005737	cellular_component	cytoplasm
B	0006552	biological_process	L-leucine catabolic process
B	0008470	molecular_function	isovaleryl-CoA dehydrogenase activity
B	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
B	0018896	biological_process	dibenzothiophene catabolic process
B	0050660	molecular_function	flavin adenine dinucleotide binding
C	0000166	molecular_function	nucleotide binding
C	0004497	molecular_function	monooxygenase activity
C	0005737	cellular_component	cytoplasm
C	0006552	biological_process	L-leucine catabolic process
C	0008470	molecular_function	isovaleryl-CoA dehydrogenase activity
C	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
C	0018896	biological_process	dibenzothiophene catabolic process
C	0050660	molecular_function	flavin adenine dinucleotide binding
D	0000166	molecular_function	nucleotide binding
D	0004497	molecular_function	monooxygenase activity
D	0005737	cellular_component	cytoplasm
D	0006552	biological_process	L-leucine catabolic process
D	0008470	molecular_function	isovaleryl-CoA dehydrogenase activity
D	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
D	0018896	biological_process	dibenzothiophene catabolic process
D	0050660	molecular_function	flavin adenine dinucleotide binding
E	0000166	molecular_function	nucleotide binding
E	0004497	molecular_function	monooxygenase activity
E	0005737	cellular_component	cytoplasm
E	0006552	biological_process	L-leucine catabolic process
E	0008470	molecular_function	isovaleryl-CoA dehydrogenase activity
E	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
E	0018896	biological_process	dibenzothiophene catabolic process
E	0050660	molecular_function	flavin adenine dinucleotide binding
F	0000166	molecular_function	nucleotide binding
F	0004497	molecular_function	monooxygenase activity
F	0005737	cellular_component	cytoplasm
F	0006552	biological_process	L-leucine catabolic process
F	0008470	molecular_function	isovaleryl-CoA dehydrogenase activity
F	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
F	0018896	biological_process	dibenzothiophene catabolic process
F	0050660	molecular_function	flavin adenine dinucleotide binding
G	0000166	molecular_function	nucleotide binding
G	0004497	molecular_function	monooxygenase activity
G	0005737	cellular_component	cytoplasm
G	0006552	biological_process	L-leucine catabolic process
G	0008470	molecular_function	isovaleryl-CoA dehydrogenase activity
G	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
G	0018896	biological_process	dibenzothiophene catabolic process
G	0050660	molecular_function	flavin adenine dinucleotide binding
H	0000166	molecular_function	nucleotide binding
H	0004497	molecular_function	monooxygenase activity
H	0005737	cellular_component	cytoplasm
H	0006552	biological_process	L-leucine catabolic process
H	0008470	molecular_function	isovaleryl-CoA dehydrogenase activity
H	0016627	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors
H	0018896	biological_process	dibenzothiophene catabolic process
H	0050660	molecular_function	flavin adenine dinucleotide binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE FMN A 500

Chain	Residue
A	HIS92
A	LEU390
A	HIS391
A	HOH611
F	ARG282
F	GLY368
F	ALA369
F	ARG370
A	TYR96
A	ASN129
A	SER131
A	SER132
A	PHE161
A	SER163
A	SER215
A	HIS388

---

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE FMN C 500

Chain	Residue
C	TYR96
C	ASN129
C	SER131
C	SER132
C	PHE161
C	SER163
C	HIS388
C	LEU390
C	HIS391
E	ARG282
E	ALA369
E	ARG370

---

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE FMN D 500

Chain	Residue
B	ALA369
B	ARG370
B	HOH527
D	HIS92
D	TYR96
D	ASN129
D	SER131
D	SER132
D	VAL138
D	PHE161
D	SER163
D	SER215
D	LEU390
D	HIS391

---

site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE FMN F 500

Chain	Residue
A	ARG282
A	ALA369
A	ARG370
A	HOH620
F	HIS92
F	TYR96
F	ASN129
F	SER132
F	ASN134
F	LYS159
F	PHE161
F	SER163
F	HIS388
F	HIS391
F	HOH670

---

Functional Information from PROSITE/UniProt

site_id	PS00962
Number of Residues	12
Details	RIBOSOMAL_S2_1 Ribosomal protein S2 signature 1. IaQLIFANVYLG

Chain	Residue	Details
A	ILE253-GLY264

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	48
Details	BINDING: BINDING => ECO:0000269|PubMed:25627402, ECO:0007744|PDB:3X0Y

Chain	Residue	Details
E	TYR96
E	ASN129
E	LYS159
E	ARG282
E	ALA369
E	HIS391
F	TYR96
F	ASN129
F	LYS159
F	ARG282
F	ALA369
F	HIS391
G	TYR96
G	ASN129
G	LYS159
G	ARG282
G	ALA369
G	HIS391
H	TYR96
H	ASN129
H	LYS159
H	ARG282
H	ALA369
H	HIS391
A	TYR96
A	ASN129
A	LYS159
A	ARG282
A	ALA369
A	HIS391
B	TYR96
B	ASN129
B	LYS159
B	ARG282
B	ALA369
B	HIS391
C	TYR96
C	ASN129
C	LYS159
C	ARG282
C	ALA369
C	HIS391
D	TYR96
D	ASN129
D	LYS159
D	ARG282
D	ALA369
D	HIS391

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 973

Chain	Residue	Details
A	HIS92	proton acceptor, proton donor
A	TYR96	proton acceptor, proton donor
A	ASN129	hydrogen bond acceptor
A	SER163	hydrogen bond acceptor, proton acceptor, proton donor
A	HIS388	electrostatic stabiliser
A	HIS391	hydrogen bond acceptor, proton acceptor, proton donor

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