6HLP

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

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	16
Details	binding site for residue GAW A 1501

Chain	Residue
A	ASN89
A	TRP261
A	PHE264
A	HIS265
A	PHE268
A	TYR272
A	MET295
A	HOH1635
A	ASN109
A	PRO112
A	ILE113
A	ILE116
A	GLN165
A	HIS197
A	VAL200
A	ILE204

---

site_id	AC2
Number of Residues	15
Details	binding site for residue CIT A 1502

Chain	Residue
A	GLY101
A	LEU102
A	PHE103
A	THR171
A	ARG224
A	OLA1503
A	PEG1518
A	PEG1523
A	PEG1528
A	HOH1602
A	HOH1606
A	HOH1607
A	HOH1612
A	HOH1630
A	HOH1666

---

site_id	AC3
Number of Residues	7
Details	binding site for residue OLA A 1503

Chain	Residue
A	TYR100
A	GLY101
A	TYR104
A	CIT1502
A	OLA1504
A	OLC1512
A	PEG1524

---

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

Chain	Residue
A	GLY220
A	ILE221
A	ARG224
A	OLA1503
A	OLC1512
A	PEG1519
A	PEG1541

---

site_id	AC5
Number of Residues	5
Details	binding site for residue OLA A 1505

Chain	Residue
A	LYS106
A	PHE107
A	PHE110
A	PHE163
A	TYR167

---

site_id	AC6
Number of Residues	4
Details	binding site for residue OLA A 1506

Chain	Residue
A	ALA319
A	YCM322
A	PEG1527
A	OLC1540

---

site_id	AC7
Number of Residues	1
Details	binding site for residue OLA A 1507

Chain	Residue
A	THR124

---

site_id	AC8
Number of Residues	5
Details	binding site for residue OLA A 1508

Chain	Residue
A	TYR131
A	HIS136
A	TYR214
A	OLC1513
A	OLC1515

---

site_id	AC9
Number of Residues	1
Details	binding site for residue OLA A 1509

Chain	Residue
A	ASN274

---

site_id	AD1
Number of Residues	3
Details	binding site for residue OLA A 1510

Chain	Residue
A	THR256
A	TYR300
A	OLC1512

---

site_id	AD2
Number of Residues	1
Details	binding site for residue OLA A 1511

Chain	Residue
A	CYS199

---

site_id	AD3
Number of Residues	11
Details	binding site for residue OLC A 1512

Chain	Residue
A	GLY220
A	ARG224
A	ARG244
A	LYS248
A	ILE251
A	THR256
A	ILE259
A	OLA1503
A	OLA1504
A	OLA1510
A	PEG1541

---

site_id	AD4
Number of Residues	8
Details	binding site for residue OLC A 1513

Chain	Residue
A	PHE128
A	MET132
A	HIS136
A	GLN139
A	TYR214
A	OLA1508
A	OLC1515
A	PEG1536

---

site_id	AD5
Number of Residues	5
Details	binding site for residue OLC A 1514

Chain	Residue
A	ALA36
A	THR40
A	PHE90
A	HIS95
A	PHE1338

---

site_id	AD6
Number of Residues	5
Details	binding site for residue OLC A 1515

Chain	Residue
A	ILE135
A	HIS136
A	OLA1508
A	OLC1513
A	OLC1539

---

site_id	AD7
Number of Residues	3
Details	binding site for residue OLC A 1516

Chain	Residue
A	ASN73
A	PHE76
A	TRP155

---

site_id	AD8
Number of Residues	8
Details	binding site for residue PEG A 1517

Chain	Residue
A	SER176
A	ARG177
A	VAL179
A	GLY1256
A	HOH1609
A	HOH1610
A	MET174
A	PRO175

---

site_id	AD9
Number of Residues	2
Details	binding site for residue PEG A 1518

Chain	Residue
A	LYS106
A	CIT1502

---

site_id	AE1
Number of Residues	3
Details	binding site for residue PEG A 1519

Chain	Residue
A	VAL88
A	TYR100
A	OLA1504

---

site_id	AE2
Number of Residues	1
Details	binding site for residue PEG A 1520

Chain	Residue
A	PEG1533

---

site_id	AE3
Number of Residues	1
Details	binding site for residue PEG A 1521

Chain	Residue
A	ILE290

---

site_id	AE4
Number of Residues	5
Details	binding site for residue PEG A 1522

Chain	Residue
A	YCM1221
A	GLU1382
A	ASN1385
A	ALA1386
A	HOH1611

---

site_id	AE5
Number of Residues	5
Details	binding site for residue PEG A 1523

Chain	Residue
A	THR171
A	VAL178
A	CIT1502
A	HOH1607
A	HOH1658

---

site_id	AE6
Number of Residues	4
Details	binding site for residue PEG A 1524

Chain	Residue
A	PHE84
A	PHE103
A	TYR104
A	OLA1503

---

site_id	AE7
Number of Residues	2
Details	binding site for residue PEG A 1526

Chain	Residue
A	GLN31
A	TRP35

---

site_id	AE8
Number of Residues	1
Details	binding site for residue PEG A 1527

Chain	Residue
A	OLA1506

---

site_id	AE9
Number of Residues	4
Details	binding site for residue PEG A 1528

Chain	Residue
A	SER241
A	ARG244
A	GLU1392
A	CIT1502

---

site_id	AF1
Number of Residues	2
Details	binding site for residue PEG A 1529

Chain	Residue
A	ILE266
A	LEU270

---

site_id	AF2
Number of Residues	2
Details	binding site for residue PEG A 1530

Chain	Residue
A	VAL48
A	PHE316

---

site_id	AF3
Number of Residues	2
Details	binding site for residue PEG A 1531

Chain	Residue
A	GLY213
A	TYR214

---

site_id	AF4
Number of Residues	2
Details	binding site for residue PEG A 1532

Chain	Residue
A	SER1242
A	GLY1245

---

site_id	AF5
Number of Residues	2
Details	binding site for residue PEG A 1533

Chain	Residue
A	TYR192
A	PEG1520

---

site_id	AF6
Number of Residues	2
Details	binding site for residue PEG A 1536

Chain	Residue
A	LYS1238
A	OLC1513

---

site_id	AF7
Number of Residues	2
Details	binding site for residue PEG A 1537

Chain	Residue
A	TYR92
A	ASN96

---

site_id	AF8
Number of Residues	1
Details	binding site for residue PEG A 1538

Chain	Residue
A	LYS1400

---

site_id	AF9
Number of Residues	5
Details	binding site for residue OLC A 1539

Chain	Residue
A	ILE135
A	PRO137
A	THR222
A	ASP1365
A	OLC1515

---

site_id	AG1
Number of Residues	6
Details	binding site for residue OLC A 1540

Chain	Residue
A	VAL51
A	TRP55
A	ILE273
A	ALA319
A	ARG321
A	OLA1506

---

site_id	AG2
Number of Residues	5
Details	binding site for residue PEG A 1541

Chain	Residue
A	CYS255
A	ALA258
A	ILE259
A	OLA1504
A	OLC1512

---

site_id	AG3
Number of Residues	1
Details	binding site for residue PEG A 1542

Chain	Residue
A	TRP30

---

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

---