3ES9

NADPH-Cytochrome P450 Reductase in an Open Conformation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003420	biological_process	regulation of growth plate cartilage chondrocyte proliferation
A	0003958	molecular_function	NADPH-hemoprotein reductase activity
A	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
A	0005737	cellular_component	cytoplasm
A	0005783	cellular_component	endoplasmic reticulum
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0005829	cellular_component	cytosol
A	0006809	biological_process	nitric oxide biosynthetic process
A	0007584	biological_process	response to nutrient
A	0008941	molecular_function	nitric oxide dioxygenase NAD(P)H activity
A	0009055	molecular_function	electron transfer activity
A	0009410	biological_process	response to xenobiotic stimulus
A	0009437	biological_process	carnitine metabolic process
A	0009725	biological_process	response to hormone
A	0009812	biological_process	flavonoid metabolic process
A	0010181	molecular_function	FMN binding
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0016787	molecular_function	hydrolase activity
A	0019395	biological_process	fatty acid oxidation
A	0019899	molecular_function	enzyme binding
A	0022900	biological_process	electron transport chain
A	0032332	biological_process	positive regulation of chondrocyte differentiation
A	0043066	biological_process	negative regulation of apoptotic process
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0043602	biological_process	nitrate catabolic process
A	0045542	biological_process	positive regulation of cholesterol biosynthetic process
A	0045880	biological_process	positive regulation of smoothened signaling pathway
A	0046210	biological_process	nitric oxide catabolic process
A	0047726	molecular_function	iron-cytochrome-c reductase activity
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0050661	molecular_function	NADP binding
A	0070988	biological_process	demethylation
A	0071371	biological_process	cellular response to gonadotropin stimulus
A	0071372	biological_process	cellular response to follicle-stimulating hormone stimulus
A	0071375	biological_process	cellular response to peptide hormone stimulus
A	0071548	biological_process	response to dexamethasone
A	0090031	biological_process	positive regulation of steroid hormone biosynthetic process
A	0090181	biological_process	regulation of cholesterol metabolic process
A	0090346	biological_process	cellular organofluorine metabolic process
B	0003420	biological_process	regulation of growth plate cartilage chondrocyte proliferation
B	0003958	molecular_function	NADPH-hemoprotein reductase activity
B	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
B	0005737	cellular_component	cytoplasm
B	0005783	cellular_component	endoplasmic reticulum
B	0005789	cellular_component	endoplasmic reticulum membrane
B	0005829	cellular_component	cytosol
B	0006809	biological_process	nitric oxide biosynthetic process
B	0007584	biological_process	response to nutrient
B	0008941	molecular_function	nitric oxide dioxygenase NAD(P)H activity
B	0009055	molecular_function	electron transfer activity
B	0009410	biological_process	response to xenobiotic stimulus
B	0009437	biological_process	carnitine metabolic process
B	0009725	biological_process	response to hormone
B	0009812	biological_process	flavonoid metabolic process
B	0010181	molecular_function	FMN binding
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0016787	molecular_function	hydrolase activity
B	0019395	biological_process	fatty acid oxidation
B	0019899	molecular_function	enzyme binding
B	0022900	biological_process	electron transport chain
B	0032332	biological_process	positive regulation of chondrocyte differentiation
B	0043066	biological_process	negative regulation of apoptotic process
B	0043231	cellular_component	intracellular membrane-bounded organelle
B	0043602	biological_process	nitrate catabolic process
B	0045542	biological_process	positive regulation of cholesterol biosynthetic process
B	0045880	biological_process	positive regulation of smoothened signaling pathway
B	0046210	biological_process	nitric oxide catabolic process
B	0047726	molecular_function	iron-cytochrome-c reductase activity
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0050661	molecular_function	NADP binding
B	0070988	biological_process	demethylation
B	0071371	biological_process	cellular response to gonadotropin stimulus
B	0071372	biological_process	cellular response to follicle-stimulating hormone stimulus
B	0071375	biological_process	cellular response to peptide hormone stimulus
B	0071548	biological_process	response to dexamethasone
B	0090031	biological_process	positive regulation of steroid hormone biosynthetic process
B	0090181	biological_process	regulation of cholesterol metabolic process
B	0090346	biological_process	cellular organofluorine metabolic process
C	0003420	biological_process	regulation of growth plate cartilage chondrocyte proliferation
C	0003958	molecular_function	NADPH-hemoprotein reductase activity
C	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
C	0005737	cellular_component	cytoplasm
C	0005783	cellular_component	endoplasmic reticulum
C	0005789	cellular_component	endoplasmic reticulum membrane
C	0005829	cellular_component	cytosol
C	0006809	biological_process	nitric oxide biosynthetic process
C	0007584	biological_process	response to nutrient
C	0008941	molecular_function	nitric oxide dioxygenase NAD(P)H activity
C	0009055	molecular_function	electron transfer activity
C	0009410	biological_process	response to xenobiotic stimulus
C	0009437	biological_process	carnitine metabolic process
C	0009725	biological_process	response to hormone
C	0009812	biological_process	flavonoid metabolic process
C	0010181	molecular_function	FMN binding
C	0016020	cellular_component	membrane
C	0016491	molecular_function	oxidoreductase activity
C	0016787	molecular_function	hydrolase activity
C	0019395	biological_process	fatty acid oxidation
C	0019899	molecular_function	enzyme binding
C	0022900	biological_process	electron transport chain
C	0032332	biological_process	positive regulation of chondrocyte differentiation
C	0043066	biological_process	negative regulation of apoptotic process
C	0043231	cellular_component	intracellular membrane-bounded organelle
C	0043602	biological_process	nitrate catabolic process
C	0045542	biological_process	positive regulation of cholesterol biosynthetic process
C	0045880	biological_process	positive regulation of smoothened signaling pathway
C	0046210	biological_process	nitric oxide catabolic process
C	0047726	molecular_function	iron-cytochrome-c reductase activity
C	0050660	molecular_function	flavin adenine dinucleotide binding
C	0050661	molecular_function	NADP binding
C	0070988	biological_process	demethylation
C	0071371	biological_process	cellular response to gonadotropin stimulus
C	0071372	biological_process	cellular response to follicle-stimulating hormone stimulus
C	0071375	biological_process	cellular response to peptide hormone stimulus
C	0071548	biological_process	response to dexamethasone
C	0090031	biological_process	positive regulation of steroid hormone biosynthetic process
C	0090181	biological_process	regulation of cholesterol metabolic process
C	0090346	biological_process	cellular organofluorine metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE FMN A 751

Chain	Residue
A	SER86
A	GLY141
A	LEU173
A	GLY174
A	ASN175
A	TYR178
A	HIS180
A	PHE181
A	ASN182
A	ASP208
A	LEU212
A	GLN87
A	THR88
A	GLY89
A	THR90
A	ALA91
A	ALA138
A	THR139
A	TYR140

---

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE FAD A 752

Chain	Residue
A	HIS319
A	ARG424
A	ARG454
A	TYR455
A	TYR456
A	SER457
A	CYS472
A	ALA473
A	VAL474
A	VAL476
A	TYR478
A	GLY488
A	VAL489
A	ALA490
A	THR491
A	TRP677

---

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE NAP A 753

Chain	Residue
A	ARG298
A	GLY534
A	THR535
A	CYS566
A	ARG567
A	SER596
A	ARG597
A	LYS602
A	TYR604
A	GLN606
A	ARG634
A	ASN635
A	ASP639

---

site_id	AC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE FAD B 752

Chain	Residue
B	ARG424
B	ARG454
B	TYR455
B	TYR456
B	SER457
B	CYS472
B	ALA473
B	VAL474
B	VAL476
B	TYR478
B	GLY488
B	VAL489
B	ALA490
B	THR491
B	TRP677
B	NAP753

---

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE NAP B 753

Chain	Residue
B	ARG298
B	GLY534
B	THR535
B	CYS566
B	ARG567
B	SER596
B	ARG597
B	LYS602
B	TYR604
B	GLN606
B	ASN635
B	ASP639
B	TRP677
B	SER678
B	FAD752

---

site_id	AC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE FAD C 752

Chain	Residue
C	ARG424
C	ARG454
C	TYR455
C	TYR456
C	SER457
C	CYS472
C	ALA473
C	VAL474
C	VAL476
C	TYR478
C	LYS487
C	GLY488
C	VAL489
C	ALA490
C	THR491
C	THR535
C	TRP677

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	30
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03212, ECO:0000269|PubMed:11371558, ECO:0000269|PubMed:19171935, ECO:0000269|PubMed:21345800, ECO:0000269|PubMed:9237990, ECO:0000269|Ref.8

Chain	Residue	Details
A	SER86
B	SER86
B	ALA138
B	LEU173
B	ILE458
B	SER482
B	SER492
B	PRO539
B	ALA600
B	GLN606
A	ALA138
C	SER86
C	ALA138
C	LEU173
C	ILE458
C	SER482
C	SER492
C	PRO539
C	ALA600
C	GLN606
A	LEU173
A	ILE458
A	SER482
A	SER492
A	PRO539
A	ALA600
A	GLN606

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03212, ECO:0000269|PubMed:11371558, ECO:0000269|PubMed:21345800, ECO:0000269|PubMed:9237990

Chain	Residue	Details
A	ASP208
B	ASP208
C	ASP208

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03212, ECO:0000269|PubMed:11371558, ECO:0000269|PubMed:19171935, ECO:0000269|PubMed:21345800, ECO:0000269|PubMed:9237990

Chain	Residue	Details
A	HIS302
A	THR643
B	HIS302
B	THR643
C	HIS302
C	THR643

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03212, ECO:0000269|PubMed:11371558, ECO:0000269|PubMed:19171935, ECO:0000269|PubMed:21345800, ECO:0000269|Ref.8

Chain	Residue	Details
A	LEU428
B	LEU428
C	LEU428

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03212, ECO:0000269|PubMed:11371558, ECO:0000269|PubMed:19171935, ECO:0000269|PubMed:9237990, ECO:0000269|Ref.8

Chain	Residue	Details
A	VAL476
B	VAL476
C	VAL476

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1fnb

Chain	Residue	Details
A	ASP675
A	SER457
A	CYS630

---

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

Chain	Residue	Details
B	ASP675
B	SER457
B	CYS630

---

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

Chain	Residue	Details
C	ASP675
C	SER457
C	CYS630

---

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

Chain	Residue	Details
A	TYR456

---

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

Chain	Residue	Details
B	TYR456

---

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

Chain	Residue	Details
C	TYR456

---

site_id	MCSA1
Number of Residues	4
Details	M-CSA 117

Chain	Residue	Details
A	SER461	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, radical stabiliser
A	ARG634	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor, proton relay, steric role, van der waals interaction

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 117

Chain	Residue	Details
B	SER461	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, radical stabiliser
B	ARG634	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor, proton relay, steric role, van der waals interaction

---

site_id	MCSA3
Number of Residues	4
Details	M-CSA 117

Chain	Residue	Details
C	SER461	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, radical stabiliser
C	ARG634	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor, proton relay, steric role, van der waals interaction

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