6E42

CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole

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	tryptophan catabolic process
A	0006954	biological_process	inflammatory response
A	0007565	biological_process	female pregnancy
A	0009055	molecular_function	electron transfer activity
A	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
A	0019441	biological_process	tryptophan catabolic process to kynurenine
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 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	tryptophan catabolic process
B	0006954	biological_process	inflammatory response
B	0007565	biological_process	female pregnancy
B	0009055	molecular_function	electron transfer activity
B	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
B	0019441	biological_process	tryptophan catabolic process to kynurenine
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 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	tryptophan catabolic process
C	0006954	biological_process	inflammatory response
C	0007565	biological_process	female pregnancy
C	0009055	molecular_function	electron transfer activity
C	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
C	0019441	biological_process	tryptophan catabolic process to kynurenine
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 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	tryptophan catabolic process
D	0006954	biological_process	inflammatory response
D	0007565	biological_process	female pregnancy
D	0009055	molecular_function	electron transfer activity
D	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
D	0019441	biological_process	tryptophan catabolic process to kynurenine
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 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	22
Details	binding site for residue HEM A 501

Chain	Residue
A	PHE163
A	HIS346
A	ILE349
A	VAL350
A	TYR353
A	ILE354
A	LEU384
A	PHE387
A	LEU388
A	VAL391
A	HQJ502
A	SER167
A	HQJ503
A	HOH618
A	HOH646
A	VAL170
A	PHE214
A	PHE226
A	SER263
A	ALA264
A	PHE270
A	ARG343

---

site_id	AC2
Number of Residues	8
Details	binding site for residue HQJ A 502

Chain	Residue
A	CYS129
A	VAL130
A	PHE163
A	SER167
A	GLY262
A	SER263
A	ALA264
A	HEM501

---

site_id	AC3
Number of Residues	9
Details	binding site for residue HQJ A 503

Chain	Residue
A	ALA174
A	ALA210
A	PHE214
A	PHE270
A	LEU339
A	LEU342
A	ARG343
A	HIS346
A	HEM501

---

site_id	AC4
Number of Residues	5
Details	binding site for residue HQJ A 504

Chain	Residue
A	CYS112
A	ALA116
A	LEU120
A	PRO121
A	HQJ505

---

site_id	AC5
Number of Residues	5
Details	binding site for residue HQJ A 505

Chain	Residue
A	ALA116
A	ARG297
A	HQJ504
B	ALA116
B	HQJ504

---

site_id	AC6
Number of Residues	22
Details	binding site for residue HEM B 501

Chain	Residue
B	PHE163
B	SER167
B	VAL170
B	PHE214
B	ILE217
B	PHE226
B	SER263
B	ALA264
B	PHE270
B	ARG343
B	HIS346
B	ILE349
B	VAL350
B	TYR353
B	ILE354
B	LEU384
B	LEU388
B	VAL391
B	HQJ502
B	HQJ503
B	HOH610
B	HOH639

---

site_id	AC7
Number of Residues	8
Details	binding site for residue HQJ B 502

Chain	Residue
B	CYS129
B	VAL130
B	PHE163
B	SER167
B	GLY262
B	SER263
B	ALA264
B	HEM501

---

site_id	AC8
Number of Residues	8
Details	binding site for residue HQJ B 503

Chain	Residue
B	ALA174
B	ALA210
B	PHE270
B	LEU339
B	LEU342
B	ARG343
B	HIS346
B	HEM501

---

site_id	AC9
Number of Residues	6
Details	binding site for residue HQJ B 504

Chain	Residue
A	HQJ505
B	CYS112
B	SER115
B	ALA116
B	LEU120
B	PRO121

---

site_id	AD1
Number of Residues	10
Details	binding site for residue HQJ B 505

Chain	Residue
A	LYS352
A	TYR353
B	GLN212
B	HIS215
A	HIS218
A	ASP219
A	HIS220
A	VAL221
A	ASN222
A	PRO223

---

site_id	AD2
Number of Residues	19
Details	binding site for residue HEM C 501

Chain	Residue
C	PHE163
C	VAL170
C	PHE214
C	PHE226
C	SER263
C	ALA264
C	PHE270
C	ARG343
C	HIS346
C	ILE349
C	VAL350
C	TYR353
C	ILE354
C	LEU388
C	VAL391
C	HQJ502
C	HQJ503
C	HOH638
C	HOH645

---

site_id	AD3
Number of Residues	8
Details	binding site for residue HQJ C 502

Chain	Residue
C	CYS129
C	VAL130
C	PHE163
C	SER167
C	GLY262
C	SER263
C	ALA264
C	HEM501

---

site_id	AD4
Number of Residues	9
Details	binding site for residue HQJ C 503

Chain	Residue
C	ALA174
C	ALA210
C	PHE214
C	PHE270
C	LEU339
C	LEU342
C	ARG343
C	HIS346
C	HEM501

---

site_id	AD5
Number of Residues	5
Details	binding site for residue HQJ C 504

Chain	Residue
C	CYS112
C	ALA116
C	LEU120
C	PRO121
C	HQJ505

---

site_id	AD6
Number of Residues	5
Details	binding site for residue HQJ C 505

Chain	Residue
C	ARG297
C	HQJ504
D	ALA116
D	GLU119
D	HQJ504

---

site_id	AD7
Number of Residues	10
Details	binding site for residue HQJ C 506

Chain	Residue
C	HIS218
C	ASP219
C	HIS220
C	VAL221
C	ASN222
C	LYS352
C	TYR353
D	GLN212
D	HIS215
D	HOH691

---

site_id	AD8
Number of Residues	23
Details	binding site for residue HEM D 501

Chain	Residue
D	PHE163
D	VAL170
D	PHE214
D	ILE217
D	PHE226
D	SER263
D	ALA264
D	PHE270
D	PHE291
D	ARG343
D	HIS346
D	ILE349
D	VAL350
D	TYR353
D	ILE354
D	LEU384
D	PHE387
D	LEU388
D	VAL391
D	HQJ502
D	HQJ503
D	HOH604
D	HOH667

---

site_id	AD9
Number of Residues	8
Details	binding site for residue HQJ D 502

Chain	Residue
D	CYS129
D	VAL130
D	PHE163
D	SER167
D	GLY262
D	SER263
D	ALA264
D	HEM501

---

site_id	AE1
Number of Residues	8
Details	binding site for residue HQJ D 503

Chain	Residue
D	ALA174
D	ALA210
D	PHE270
D	LEU339
D	LEU342
D	ARG343
D	HIS346
D	HEM501

---

site_id	AE2
Number of Residues	5
Details	binding site for residue HQJ D 504

Chain	Residue
C	HQJ505
D	CYS112
D	ALA116
D	LEU120
D	PRO121

---

site_id	AE3
Number of Residues	4
Details	binding site for residue PO4 D 505

Chain	Residue
D	TYR145
D	LYS161
D	ASP219
D	HIS220

---

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: proximal binding residue => ECO:0000269|PubMed:16477023, ECO:0000269|PubMed:25313323, ECO:0007744|PDB:2D0T, ECO:0007744|PDB:2D0U, ECO:0007744|PDB:4PK5, ECO:0007744|PDB:4PK6

Chain	Residue	Details
A	HIS346
B	HIS346
C	HIS346
D	HIS346

---