6V9S

Structure-based development of subtype-selective orexin 1 receptor antagonists

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004930	molecular_function	G protein-coupled receptor activity
A	0007186	biological_process	G protein-coupled receptor signaling pathway
A	0007631	biological_process	feeding behavior
A	0016020	cellular_component	membrane
A	0016499	molecular_function	orexin receptor activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	binding site for residue JHC A 1201

Chain	Residue
A	ALA102
A	ILE314
A	ASN318
A	TYR348
A	SER103
A	TRP112
A	ILE122
A	PRO123
A	GLN126
A	ALA127
A	GLN179
A	GLU204

---

site_id	AC2
Number of Residues	3
Details	binding site for residue CLR A 1202

Chain	Residue
A	VAL62
A	LEU66
A	ALA372

---

site_id	AC3
Number of Residues	4
Details	binding site for residue OLA A 1203

Chain	Residue
A	TYR41
A	PRO42
A	PHE239
A	MET301

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	102
Details	TOPO_DOM: Extracellular => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	MET1-GLU46
A	VAL106-CYS119
A	MET183-LYS213
A	ARG322-VAL336

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	TRANSMEM: Helical; Name=1 => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	TRP47-VAL67

---

site_id	SWS_FT_FI3
Number of Residues	33
Details	TOPO_DOM: Cytoplasmic => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	CYS68-ASN82
A	ALA141-ARG160

---

site_id	SWS_FT_FI4
Number of Residues	22
Details	TRANSMEM: Helical; Name=2 => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	TYR83-LEU105

---

site_id	SWS_FT_FI5
Number of Residues	20
Details	TRANSMEM: Helical; Name=3 => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	LYS120-ILE140

---

site_id	SWS_FT_FI6
Number of Residues	21
Details	TRANSMEM: Helical; Name=4 => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	ALA161-VAL182

---

site_id	SWS_FT_FI7
Number of Residues	21
Details	TRANSMEM: Helical; Name=5 => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	ILE214-TYR235

---

site_id	SWS_FT_FI8
Number of Residues	22
Details	TRANSMEM: Helical; Name=6 => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	MET299-LYS321

---

site_id	SWS_FT_FI9
Number of Residues	23
Details	TRANSMEM: Helical; Name=7 => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	TYR337-PHE360

---

site_id	SWS_FT_FI10
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:26950369, ECO:0007744|PDB:4ZJ8

Chain	Residue	Details
A	ASN318

---

site_id	SWS_FT_FI11
Number of Residues	1
Details	SITE: Important for responses to orexin => ECO:0000269|PubMed:26950369

Chain	Residue	Details
A	TRP36

---

site_id	SWS_FT_FI12
Number of Residues	1
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN194

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