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 T58992 Target Info
Target Name Opioid receptor delta (OPRD1)
Synonyms OPRD; Delta-type opioid receptor; Delta opioid receptor; DOR-1; D-OR-1
Target Type Successful Target
Gene Name OPRD1
Biochemical Class GPCR rhodopsin
UniProt ID
OPRD_HUMAN
Ligand General Information  Top
Ligand Name Oleic acid Ligand Info
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)O
InChI 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKey ZQPPMHVWECSIRJ-KTKRTIGZSA-N
PubChem Compound ID 445639
Drug Binding Sites of Target  Top
PDB ID: 4RWD      XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
Method X-ray diffraction Resolution 2.70 Å Mutation Yes [1]
PDB Sequence
ADLEDNWETL
1010
NDNLKVIEKA
1020
DNAAQVKDAL
1030
TKMRAAALDA
1040
QKATPPKLED
1050

KSPDSPEMKD
1060
FRHGFDILVG
1070
QIDDALKLAN
1080
EGKVKEAQAA
1090
AEQLKTTRNA
1100

YIQKYLGARS
42
ASSLALAIAI
52
TALYSAVCAV
62
GLLGNVLVMF
72
GIVRYTKMKT
82

ATNIYIFNLA
92
LADALATSTL
102
PFQSAKYLME
112
TWPFGELLCK
122
AVLSIDYYNM
132

FTSIFTLTMM
142
SVDRYIAVCH
152
PVKALDFRTP
162
AKAKLINICI
172
WVLASGVGVP
182

IMVMAVTRPR
192
DGAVVCMLQF
202
PSPSWYWDTV
212
TKICVFLFAF
222
VVPILIITVC
232

YGLMLLRLRS
242
VRLLSGSKEK
252
DRSLRRITRM
262
VLVVVGAFVV
272
CWAPIHIFVI
282

VWTLVDIDRR
292
DPLVVAALHL
302
CIALGYANSS
312
LNPVLYAFLD
322
ENFKRCFRQL
332

C
Residue
Distance (Å)
ALA43
4.269
SER44
3.025
SER45
4.250
ALA47
3.954
LEU48
3.779
ILE50
3.481
ALA51
3.800
ALA54
4.525
VAL272
4.780
Residue
Distance (Å)
ALA275
4.446
PRO276
4.361
ILE279
4.156
PHE280
3.767
VAL283
4.214
PRO294
3.157
VAL297
4.244
ALA298
4.083
PDB ID: 4N6H      1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target)
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [2]
PDB Sequence
DLEDNWETLN
1011
DNLKVIEKAD
1021
NAAQVKDALT
1031
KMRAAALDAQ
1041
KATPPKLEDK
1051

SPDSPEMKDF
1061
RHGFDILVGQ
1071
IDDALKLANE
1081
GKVKEAQAAA
1091
EQLKTTRNAY
1101

IQKYLGSPGA
40
RSASSLALAI
50
AITALYSAVC
60
AVGLLGNVLV
70
MFGIVRYTKM
80

KTATNIYIFN
90
LALADALATS
100
TLPFQSAKYL
110
METWPFGELL
120
CKAVLSIDYY
130

NMFTSIFTLT
140
MMSVDRYIAV
150
CHPVKALDFR
160
TPAKAKLINI
170
CIWVLASGVG
180

VPIMVMAVTR
190
PRDGAVVCML
200
QFPSPSWYWD
210
TVTKICVFLF
220
AFVVPILIIT
230

VCYGLMLLRL
240
RSVRLLSGSK
250
EKDRSLRRIT
260
RMVLVVVGAF
270
VVCWAPIHIF
280

VIVWTLVDID
290
RRDPLVVAAL
300
HLCIALGYAN
310
SSLNPVLYAF
320
LDENFKRCFR
330

QLCRKPCG
Residue
Distance (Å)
ALA47
3.594
LEU48
3.835
ILE50
4.281
ALA51
3.883
ALA54
3.583
LEU55
3.528
ALA58
3.811
CYS60
4.375
LEU64
4.150
MET71
3.997
PHE72
3.842
VAL75
3.839
ALA83
4.516
TYR87
2.568
PHE89
4.231
LEU93
4.063
ALA96
3.956
LEU97
4.130
SER100
3.372
THR101
4.491
PRO103
3.757
PHE104
4.051
ALA107
4.212
PRO115
3.024
PHE116
3.347
GLY117
4.037
LEU120
4.504
VAL124
4.931
ILE127
4.078
MET141
3.957
VAL144
4.649
ASP145
2.709
ILE148
3.895
PHE159
3.301
ARG160
3.823
THR161
3.646
Residue
Distance (Å)
LYS164
3.891
ALA165
3.780
ILE168
3.717
TYR233
3.250
LEU237
3.726
ARG261
3.328
LEU264
4.076
VAL265
4.119
GLY268
3.886
ALA269
3.951
VAL271
4.172
VAL272
3.653
CYS273
4.017
ALA275
4.362
PRO276
3.737
ILE279
3.637
PHE280
3.952
VAL283
4.095
VAL287
3.710
ASP288
3.451
ILE289
3.612
ASP290
2.702
ASP293
3.174
LEU295
3.387
VAL296
3.543
ALA298
4.577
ALA299
4.120
LEU302
4.246
CYS303
4.234
LEU306
3.926
ALA309
4.042
LEU313
3.725
VAL316
3.694
LEU317
4.280
PHE320
3.506
LEU321
3.874
PDB ID: 6PT2      Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07
Method X-ray diffraction Resolution 2.80 Å Mutation No [3]
PDB Sequence
TMADLEDNWE
1008
TLNDNLKVIE
1018
KADNAAQVKD
1028
ALTKMRAAAL
1038
DAQKATPPKL
1048

EDKSPDSPEM
1058
KDFRHGFDIL
1068
VGQIDDALKL
1078
ANEGKVKEAQ
1088
AAAEQLKTTR
1098

NAYIQKYLRS
42
ASSLALAIAI
52
TALYSAVCAV
62
GLLGNVLVMF
72
VIVRYTKMKT
82

ATNIYIFSLA
92
LAGALATSTL
102
PFQSADYLME
112
TWPFGELLCK
122
AVLSIDYYSM
132

FTSIFTLTMM
142
CVDRYIAVCH
152
PVKALDFRTP
162
AKAKLINICI
172
WVLASGVGVP
182

IMVMAVTRPR
192
DGAVVCMLQF
202
PSPSWYWDTV
212
TKICVFLFAF
222
VVPILIITVC
232

YGLMLLRLRS
242
VRLLSGSKEK
252
DRSLRRITRM
262
VLVVVVAFVV
272
CWAPIHIFVI
282

VWTLVDIDRR
292
DPLVVAALHL
302
CIALGYINSS
312
LNPVLYAFLD
322
KNFKRCF
Residue
Distance (Å)
THR53
4.605
SER57
3.751
CYS60
4.527
ALA61
4.647
MET80
3.780
ILE86
3.810
PHE89
4.073
SER90
4.519
LEU93
3.894
LEU97
3.792
PRO103
4.049
Residue
Distance (Å)
SER106
3.247
ALA107
3.596
LEU110
3.683
MET111
3.281
GLU112
4.748
ILE127
3.791
TYR130
3.926
LYS166
3.756
ASN169
3.828
ILE170
4.927
TRP173
3.315
References  Top
REF 1 Structural basis for bifunctional peptide recognition at human Delta-opioid receptor. Nat Struct Mol Biol. 2015 Mar;22(3):265-8.
REF 2 Molecular control of Delta-opioid receptor signalling. Nature. 2014 Feb 13;506(7487):191-6.
REF 3 Elucidating the active Delta-opioid receptor crystal structure with peptide and small-molecule agonists. Sci Adv. 2019 Nov 27;5(11):eaax9115.

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