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	20
Details	Transmembrane: {"description":"Helical; Name=1","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	33
Details	Topological domain: {"description":"Cytoplasmic","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	22
Details	Transmembrane: {"description":"Helical; Name=2","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	57
Details	Topological domain: {"description":"Extracellular","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	20
Details	Transmembrane: {"description":"Helical; Name=3","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	21
Details	Transmembrane: {"description":"Helical; Name=4","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	21
Details	Transmembrane: {"description":"Helical; Name=5","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	22
Details	Transmembrane: {"description":"Helical; Name=6","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	23
Details	Transmembrane: {"description":"Helical; Name=7","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	15
Details	Region: {"description":"Required for response to orexin-A","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31860301","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4ZJ8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6TO7","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI12
Number of Residues	1
Details	Site: {"description":"Important for responses to orexin","evidences":[{"source":"PubMed","id":"26950369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI13
Number of Residues	1
Details	Site: {"description":"Critical for HCRTR1 selectivity over HCRTR2","evidences":[{"source":"PubMed","id":"31860301","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32669442","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI14
Number of Residues	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---