7XWW

Crystal structure of NTR in complex with BN-XB

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
A	0004155	molecular_function	6,7-dihydropteridine reductase activity
A	0005829	cellular_component	cytosol
A	0010181	molecular_function	FMN binding
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0042802	molecular_function	identical protein binding
A	0042803	molecular_function	protein homodimerization activity
A	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
A	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
B	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
B	0004155	molecular_function	6,7-dihydropteridine reductase activity
B	0005829	cellular_component	cytosol
B	0010181	molecular_function	FMN binding
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0042802	molecular_function	identical protein binding
B	0042803	molecular_function	protein homodimerization activity
B	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
B	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
H	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
H	0004155	molecular_function	6,7-dihydropteridine reductase activity
H	0005829	cellular_component	cytosol
H	0010181	molecular_function	FMN binding
H	0016020	cellular_component	membrane
H	0016491	molecular_function	oxidoreductase activity
H	0042802	molecular_function	identical protein binding
H	0042803	molecular_function	protein homodimerization activity
H	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
H	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
I	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
I	0004155	molecular_function	6,7-dihydropteridine reductase activity
I	0005829	cellular_component	cytosol
I	0010181	molecular_function	FMN binding
I	0016020	cellular_component	membrane
I	0016491	molecular_function	oxidoreductase activity
I	0042802	molecular_function	identical protein binding
I	0042803	molecular_function	protein homodimerization activity
I	0046256	biological_process	2,4,6-trinitrotoluene catabolic process
I	0046857	molecular_function	oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:11020276, ECO:0000269|PubMed:11491290, ECO:0000269|PubMed:15684426

Chain	Residue	Details
B	ARG10
I	ARG10
I	GLU165
I	LYS205
B	GLU165
B	LYS205
A	ARG10
A	GLU165
A	LYS205
H	ARG10
H	GLU165
H	LYS205

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site_id	SWS_FT_FI2
Number of Residues	20
Details	BINDING: BINDING => ECO:0000250|UniProtKB:Q01234

Chain	Residue	Details
B	LYS14
A	ARG107
H	LYS14
H	THR41
H	ASN71
H	LYS74
H	ARG107
I	LYS14
I	THR41
I	ASN71
I	LYS74
B	THR41
I	ARG107
B	ASN71
B	LYS74
B	ARG107
A	LYS14
A	THR41
A	ASN71
A	LYS74

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 211

Chain	Residue	Details
B	LYS14	electrostatic stabiliser, hydrogen bond donor
B	LYS74	electrostatic stabiliser, hydrogen bond donor
B	GLU165	electrostatic stabiliser, hydrogen bond donor

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site_id	MCSA2
Number of Residues	3
Details	M-CSA 211

Chain	Residue	Details
A	LYS14	electrostatic stabiliser, hydrogen bond donor
A	LYS74	electrostatic stabiliser, hydrogen bond donor
A	GLU165	electrostatic stabiliser, hydrogen bond donor

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site_id	MCSA3
Number of Residues	3
Details	M-CSA 211

Chain	Residue	Details
H	LYS14	electrostatic stabiliser, hydrogen bond donor
H	LYS74	electrostatic stabiliser, hydrogen bond donor
H	GLU165	electrostatic stabiliser, hydrogen bond donor

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site_id	MCSA4
Number of Residues	3
Details	M-CSA 211

Chain	Residue	Details
I	LYS14	electrostatic stabiliser, hydrogen bond donor
I	LYS74	electrostatic stabiliser, hydrogen bond donor
I	GLU165	electrostatic stabiliser, hydrogen bond donor

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