6HLO

Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004930	molecular_function	G protein-coupled receptor activity
A	0004995	molecular_function	tachykinin receptor activity
A	0005886	cellular_component	plasma membrane
A	0007186	biological_process	G protein-coupled receptor signaling pathway
A	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue GBQ A 1501

Chain	Residue
A	ASN89
A	HIS197
A	VAL200
A	THR201
A	ILE204
A	TRP261
A	PHE264
A	HIS265
A	MET291
A	MET295
A	ASN109
A	PRO112
A	ILE113
A	ILE116
A	GLN165
A	ILE182
A	TRP184
A	GLU193

---

site_id	AC2
Number of Residues	9
Details	binding site for residue CIT A 1502

Chain	Residue
A	GLY101
A	LEU102
A	PHE103
A	ARG224
A	OLA1506
A	HOH1601
A	HOH1602
A	HOH1603
A	HOH1611

---

site_id	AC3
Number of Residues	2
Details	binding site for residue OLA A 1503

Chain	Residue
A	PHE110
A	TYR167

---

site_id	AC4
Number of Residues	7
Details	binding site for residue OLA A 1504

Chain	Residue
A	GLY213
A	TYR216
A	THR217
A	ARG224
A	OLA1505
A	OLA1506
A	OLC1520

---

site_id	AC5
Number of Residues	8
Details	binding site for residue OLA A 1505

Chain	Residue
A	VAL88
A	THR91
A	TYR100
A	ARG224
A	OLA1504
A	OLA1508
A	OLC1521
A	OLC1522

---

site_id	AC6
Number of Residues	6
Details	binding site for residue OLA A 1506

Chain	Residue
A	TYR100
A	TYR104
A	CIT1502
A	OLA1504
A	OLC1520
A	OLC1521

---

site_id	AC7
Number of Residues	2
Details	binding site for residue OLA A 1507

Chain	Residue
A	TYR214
A	OLA1508

---

site_id	AC8
Number of Residues	3
Details	binding site for residue OLA A 1508

Chain	Residue
A	THR222
A	OLA1505
A	OLA1507

---

site_id	AC9
Number of Residues	3
Details	binding site for residue OLA A 1509

Chain	Residue
A	LEU58
A	ARG64
A	ASN274

---

site_id	AD1
Number of Residues	1
Details	binding site for residue OLA A 1510

Chain	Residue
A	ILE266

---

site_id	AD2
Number of Residues	3
Details	binding site for residue OLA A 1511

Chain	Residue
A	GLN31
A	LEU34
A	TRP35

---

site_id	AD3
Number of Residues	1
Details	binding site for residue OLA A 1512

Chain	Residue
A	TYR121

---

site_id	AD4
Number of Residues	2
Details	binding site for residue OLA A 1513

Chain	Residue
A	TYR131
A	TYR214

---

site_id	AD5
Number of Residues	3
Details	binding site for residue OLA A 1515

Chain	Residue
A	LYS248
A	THR256
A	TYR300

---

site_id	AD6
Number of Residues	5
Details	binding site for residue OLA A 1516

Chain	Residue
A	VAL44
A	THR45
A	VAL48
A	GLY49
A	PHE316

---

site_id	AD7
Number of Residues	5
Details	binding site for residue OLA A 1517

Chain	Residue
A	TYR69
A	VAL72
A	ASN73
A	LYS148
A	TRP155

---

site_id	AD8
Number of Residues	4
Details	binding site for residue OLA A 1518

Chain	Residue
A	TRP55
A	HIS318
A	ARG321
A	OLA1519

---

site_id	AD9
Number of Residues	3
Details	binding site for residue OLA A 1519

Chain	Residue
A	PHE320
A	OLA1518
A	OLC1522

---

site_id	AE1
Number of Residues	6
Details	binding site for residue OLC A 1520

Chain	Residue
A	GLY220
A	ARG224
A	ARG244
A	OLA1504
A	OLA1506
A	HOH1601

---

site_id	AE2
Number of Residues	6
Details	binding site for residue OLC A 1521

Chain	Residue
A	PHE103
A	TYR104
A	PHE107
A	OLA1505
A	OLA1506
A	OLC1522

---

site_id	AE3
Number of Residues	5
Details	binding site for residue OLC A 1522

Chain	Residue
A	OLA1505
A	OLA1519
A	OLC1521
A	ALA83
A	TYR104

---

Functional Information from PROSITE/UniProt

site_id	PS00237
Number of Residues	17
Details	G_PROTEIN_RECEP_F1_1 G-protein coupled receptors family 1 signature. ASIySMTAVAFDRYMaI

Chain	Residue	Details
A	ALA118-ILE134

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	22
Details	Transmembrane: {"description":"Helical; Name=1","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	28
Details	Topological domain: {"description":"Cytoplasmic","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	21
Details	Transmembrane: {"description":"Helical; Name=2","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	43
Details	Topological domain: {"description":"Extracellular","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	21
Details	Transmembrane: {"description":"Helical; Name=3","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	20
Details	Transmembrane: {"description":"Helical; Name=4","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	24
Details	Transmembrane: {"description":"Helical; Name=5","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	21
Details	Transmembrane: {"description":"Helical; Name=6","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	24
Details	Transmembrane: {"description":"Helical; Name=7","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"8384323","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---