6E45

CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferrous state

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002376	biological_process	immune system process
A	0002666	biological_process	positive regulation of T cell tolerance induction
A	0002678	biological_process	positive regulation of chronic inflammatory response
A	0002830	biological_process	positive regulation of type 2 immune response
A	0004833	molecular_function	tryptophan 2,3-dioxygenase activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006569	biological_process	L-tryptophan catabolic process
A	0006954	biological_process	inflammatory response
A	0007565	biological_process	female pregnancy
A	0009055	molecular_function	electron transfer activity
A	0016491	molecular_function	oxidoreductase activity
A	0019441	biological_process	L-tryptophan catabolic process to kynurenine
A	0019805	biological_process	quinolinate biosynthetic process
A	0020037	molecular_function	heme binding
A	0030485	cellular_component	smooth muscle contractile fiber
A	0032421	cellular_component	stereocilium bundle
A	0032496	biological_process	response to lipopolysaccharide
A	0032693	biological_process	negative regulation of interleukin-10 production
A	0032735	biological_process	positive regulation of interleukin-12 production
A	0033555	biological_process	multicellular organismal response to stress
A	0033754	molecular_function	indoleamine 2,3-dioxygenase activity
A	0034276	biological_process	kynurenic acid biosynthetic process
A	0034354	biological_process	'de novo' NAD+ biosynthetic process from L-tryptophan
A	0036269	biological_process	swimming behavior
A	0042098	biological_process	T cell proliferation
A	0042130	biological_process	negative regulation of T cell proliferation
A	0043065	biological_process	positive regulation of apoptotic process
A	0046006	biological_process	regulation of activated T cell proliferation
A	0046872	molecular_function	metal ion binding
A	0051213	molecular_function	dioxygenase activity
A	0070233	biological_process	negative regulation of T cell apoptotic process
A	0070234	biological_process	positive regulation of T cell apoptotic process
B	0002376	biological_process	immune system process
B	0002666	biological_process	positive regulation of T cell tolerance induction
B	0002678	biological_process	positive regulation of chronic inflammatory response
B	0002830	biological_process	positive regulation of type 2 immune response
B	0004833	molecular_function	tryptophan 2,3-dioxygenase activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006569	biological_process	L-tryptophan catabolic process
B	0006954	biological_process	inflammatory response
B	0007565	biological_process	female pregnancy
B	0009055	molecular_function	electron transfer activity
B	0016491	molecular_function	oxidoreductase activity
B	0019441	biological_process	L-tryptophan catabolic process to kynurenine
B	0019805	biological_process	quinolinate biosynthetic process
B	0020037	molecular_function	heme binding
B	0030485	cellular_component	smooth muscle contractile fiber
B	0032421	cellular_component	stereocilium bundle
B	0032496	biological_process	response to lipopolysaccharide
B	0032693	biological_process	negative regulation of interleukin-10 production
B	0032735	biological_process	positive regulation of interleukin-12 production
B	0033555	biological_process	multicellular organismal response to stress
B	0033754	molecular_function	indoleamine 2,3-dioxygenase activity
B	0034276	biological_process	kynurenic acid biosynthetic process
B	0034354	biological_process	'de novo' NAD+ biosynthetic process from L-tryptophan
B	0036269	biological_process	swimming behavior
B	0042098	biological_process	T cell proliferation
B	0042130	biological_process	negative regulation of T cell proliferation
B	0043065	biological_process	positive regulation of apoptotic process
B	0046006	biological_process	regulation of activated T cell proliferation
B	0046872	molecular_function	metal ion binding
B	0051213	molecular_function	dioxygenase activity
B	0070233	biological_process	negative regulation of T cell apoptotic process
B	0070234	biological_process	positive regulation of T cell apoptotic process
C	0002376	biological_process	immune system process
C	0002666	biological_process	positive regulation of T cell tolerance induction
C	0002678	biological_process	positive regulation of chronic inflammatory response
C	0002830	biological_process	positive regulation of type 2 immune response
C	0004833	molecular_function	tryptophan 2,3-dioxygenase activity
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006569	biological_process	L-tryptophan catabolic process
C	0006954	biological_process	inflammatory response
C	0007565	biological_process	female pregnancy
C	0009055	molecular_function	electron transfer activity
C	0016491	molecular_function	oxidoreductase activity
C	0019441	biological_process	L-tryptophan catabolic process to kynurenine
C	0019805	biological_process	quinolinate biosynthetic process
C	0020037	molecular_function	heme binding
C	0030485	cellular_component	smooth muscle contractile fiber
C	0032421	cellular_component	stereocilium bundle
C	0032496	biological_process	response to lipopolysaccharide
C	0032693	biological_process	negative regulation of interleukin-10 production
C	0032735	biological_process	positive regulation of interleukin-12 production
C	0033555	biological_process	multicellular organismal response to stress
C	0033754	molecular_function	indoleamine 2,3-dioxygenase activity
C	0034276	biological_process	kynurenic acid biosynthetic process
C	0034354	biological_process	'de novo' NAD+ biosynthetic process from L-tryptophan
C	0036269	biological_process	swimming behavior
C	0042098	biological_process	T cell proliferation
C	0042130	biological_process	negative regulation of T cell proliferation
C	0043065	biological_process	positive regulation of apoptotic process
C	0046006	biological_process	regulation of activated T cell proliferation
C	0046872	molecular_function	metal ion binding
C	0051213	molecular_function	dioxygenase activity
C	0070233	biological_process	negative regulation of T cell apoptotic process
C	0070234	biological_process	positive regulation of T cell apoptotic process
D	0002376	biological_process	immune system process
D	0002666	biological_process	positive regulation of T cell tolerance induction
D	0002678	biological_process	positive regulation of chronic inflammatory response
D	0002830	biological_process	positive regulation of type 2 immune response
D	0004833	molecular_function	tryptophan 2,3-dioxygenase activity
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006569	biological_process	L-tryptophan catabolic process
D	0006954	biological_process	inflammatory response
D	0007565	biological_process	female pregnancy
D	0009055	molecular_function	electron transfer activity
D	0016491	molecular_function	oxidoreductase activity
D	0019441	biological_process	L-tryptophan catabolic process to kynurenine
D	0019805	biological_process	quinolinate biosynthetic process
D	0020037	molecular_function	heme binding
D	0030485	cellular_component	smooth muscle contractile fiber
D	0032421	cellular_component	stereocilium bundle
D	0032496	biological_process	response to lipopolysaccharide
D	0032693	biological_process	negative regulation of interleukin-10 production
D	0032735	biological_process	positive regulation of interleukin-12 production
D	0033555	biological_process	multicellular organismal response to stress
D	0033754	molecular_function	indoleamine 2,3-dioxygenase activity
D	0034276	biological_process	kynurenic acid biosynthetic process
D	0034354	biological_process	'de novo' NAD+ biosynthetic process from L-tryptophan
D	0036269	biological_process	swimming behavior
D	0042098	biological_process	T cell proliferation
D	0042130	biological_process	negative regulation of T cell proliferation
D	0043065	biological_process	positive regulation of apoptotic process
D	0046006	biological_process	regulation of activated T cell proliferation
D	0046872	molecular_function	metal ion binding
D	0051213	molecular_function	dioxygenase activity
D	0070233	biological_process	negative regulation of T cell apoptotic process
D	0070234	biological_process	positive regulation of T cell apoptotic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	binding site for residue HEM A 501

Chain	Residue
A	TYR126
A	PHE291
A	ARG343
A	HIS346
A	ILE349
A	TYR353
A	ILE354
A	LEU384
A	VAL391
A	HOH633
A	HOH680
A	SER167
A	VAL170
A	PHE214
A	PHE226
A	SER263
A	ALA264
A	GLY265
A	PHE270

---

site_id	AC2
Number of Residues	6
Details	binding site for residue GOL A 502

Chain	Residue
A	LEU234
A	GLY236
A	GLY261
A	GLY262
A	HOH610
A	HOH716

---

site_id	AC3
Number of Residues	6
Details	binding site for residue GOL A 503

Chain	Residue
A	CYS159
A	ASN222
B	GLN212
B	HIS215
B	ASP219
B	HOH652

---

site_id	AC4
Number of Residues	19
Details	binding site for residue HEM B 501

Chain	Residue
B	TYR126
B	SER167
B	VAL170
B	PHE214
B	ILE217
B	PHE226
B	SER263
B	ALA264
B	GLY265
B	PHE270
B	PHE291
B	ARG343
B	HIS346
B	ILE349
B	ILE354
B	LEU384
B	VAL391
B	HOH625
B	HOH768

---

site_id	AC5
Number of Residues	7
Details	binding site for residue PO4 B 502

Chain	Residue
A	HIS218
A	HOH640
B	HIS215
B	TYR345
B	GLN348
B	HOH716
B	HOH787

---

site_id	AC6
Number of Residues	20
Details	binding site for residue HEM C 501

Chain	Residue
C	TYR126
C	PHE163
C	SER167
C	VAL170
C	PHE214
C	PHE226
C	SER263
C	ALA264
C	GLY265
C	PHE270
C	PHE291
C	ARG343
C	HIS346
C	ILE349
C	TYR353
C	ILE354
C	LEU384
C	VAL391
C	HOH615
C	HOH744

---

site_id	AC7
Number of Residues	20
Details	binding site for residue HEM D 501

Chain	Residue
D	TYR126
D	SER167
D	VAL170
D	PHE214
D	ILE217
D	PHE226
D	SER263
D	ALA264
D	GLY265
D	PHE270
D	PHE291
D	ARG343
D	HIS346
D	ILE349
D	TYR353
D	ILE354
D	LEU384
D	VAL391
D	HOH610
D	HOH768

---

site_id	AC8
Number of Residues	5
Details	binding site for residue PO4 D 502

Chain	Residue
A	HOH624
D	GLU60
D	ARG100
A	PRO33
A	ASP34

---

site_id	AC9
Number of Residues	9
Details	binding site for residue PO4 D 503

Chain	Residue
C	HIS218
C	HOH646
C	HOH682
D	HIS215
D	TYR345
D	GLN348
D	HOH606
D	HOH672
D	HOH812

---

site_id	AD1
Number of Residues	6
Details	binding site for residue GOL D 504

Chain	Residue
D	GLY236
D	TRP237
D	LYS238
D	ALA260
D	GLY261
D	HOH717

---

site_id	AD2
Number of Residues	7
Details	binding site for residue GOL D 505

Chain	Residue
C	HOH726
D	HIS16
D	GLU119
D	PRO301
D	ALA302
D	HOH689
D	HOH753

---

site_id	AD3
Number of Residues	3
Details	binding site for residue GOL D 506

Chain	Residue
D	GLU60
D	LYS61
D	HOH607

---

Functional Information from PROSITE/UniProt

site_id	PS00876
Number of Residues	11
Details	IDO_1 Indoleamine 2,3-dioxygenase signature 1. GGSAGQSSvfQ

Chain	Residue	Details
A	GLY261-GLN271

---

site_id	PS00877
Number of Residues	14
Details	IDO_2 Indoleamine 2,3-dioxygenase signature 2. FLQDMrrYMppaHR

Chain	Residue	Details
A	PHE291-ARG304

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Binding site: {"description":"proximal binding residue","evidences":[{"source":"PubMed","id":"16477023","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25313323","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2D0T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D0U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PK5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PK6","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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