Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T22118 Target Info
Target Name Dopamine D1 receptor (D1R)
Synonyms D(1A) dopamine receptor
Target Type Successful Target
Gene Name DRD1
Biochemical Class GPCR rhodopsin
UniProt ID
DRD1_HUMAN
Ligand General Information  Top
Ligand Name Fenoldopam, (R)- Ligand Info
Canonical SMILES C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O
InChI 1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m1/s1
InChIKey TVURRHSHRRELCG-CYBMUJFWSA-N
PubChem Compound ID 12668023
Drug Binding Sites of Target  Top
PDB ID: 7CKW      Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex
Method Electron microscopy Resolution 3.22 Å Mutation Yes [1]
PDB Sequence
FSVRILTACF
29
LSLLILSTLL
39
GNTLVCAAVI
49
RFRHLRSKVT
59
NFFVISLAVS
69

DLLVAVLVMP
79
WKAVAEIAGF
89
WPFGSFCNIW
99
VAFDIMCSTA
109
SILNLCVISV
119

DRYWAISSPF
129
RYERKMTPKA
139
AFILISVAWT
149
LSVLISFIPV
159
QLSWHKNCDS
188

SLSRTYAISS
198
SVISFYIPVA
208
IMIVTYTRIY
218
RIAQKQIRRI
228
AALERAAVHS
263

FKRETKVLKT
273
LSVIMGVFVC
283
CWLPFFILNC
293
ILPFCCIDSN
311
TFDVFVWFGW
321

ANSSLNPIIY
331
AFNADFRKAF
341
STL
Residue
Distance (Å)
VAL100
3.638
ASP103
2.524
ILE104
4.015
SER107
3.457
THR108
4.377
ASP187
3.872
SER188
2.223
SER189
4.115
LEU190
3.334
TYR194
4.908
ALA195
4.062
Residue
Distance (Å)
SER198
2.434
SER199
3.294
SER202
2.796
TRP285
4.260
PHE288
3.508
PHE289
3.522
ASN292
3.045
PHE313
3.442
VAL317
3.925
TRP321
4.249
PDB ID: 7X2C      Cryo-EM structure of the fenoldopam-bound D1 dopamine receptor and mini-Gs complex
Method Electron microscopy Resolution 3.20 Å Mutation Yes [2]
PDB Sequence
FSVRILTACF
29
LSLLILSTLL
39
GNTLVCAAVI
49
RFRHLRSKVT
59
NFFVISLAVS
69

DLLVAVLVMP
79
WKAVAEIAGF
89
WPFGSFCNIW
99
VAFDIMCSTA
109
SILNLCVISV
119

DRYWAISSPF
129
RYERKMTPKA
139
AFILISVAWT
149
LSVLISFIPV
159
QLSWHKANCD
187

SSLSRTYAIS
197
SSVISFYIPV
207
AIMIVTYTRI
217
YRIAQKQIRR
227
IAALERAAVH
237

AKNCFKRETK
269
VLKTLSVIMG
279
VFVCCWLPFF
289
ILNCILPFCG
299
FCIDSNTFDV
315

FVWFGWANSS
325
LNPIIYAFNA
335
DFRKAFSTL
Residue
Distance (Å)
LYS81
3.168
TRP99
3.350
VAL100
4.410
ASP103
2.424
ILE104
3.522
SER107
3.314
THR108
3.424
ILE111
4.525
HIS164
4.956
ASP187
4.480
SER188
2.788
SER189
3.287
LEU190
3.453
TYR194
4.025
Residue
Distance (Å)
ALA195
4.598
SER198
2.255
SER199
4.024
SER202
3.501
TRP285
4.147
PHE288
3.412
PHE289
3.509
ASN292
3.534
SER310
3.572
PHE313
4.043
ASP314
2.869
VAL317
4.268
TRP321
3.421
References  Top
REF 1 Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell. 2021 Feb 18;184(4):943-956.e18.
REF 2 Ligand recognition and biased agonism of the D1 dopamine receptor. Nat Commun. 2022 Jun 8;13(1):3186.

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