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 T47768 Target Info
Target Name Opioid receptor mu (MOP)
Synonyms hMOP; Mu-type opioid receptor; Mu opioid receptor; Mu opiate receptor; MOR1A; MOR1; MOR-1; M-OR-1
Target Type Successful Target
Gene Name OPRM1
Biochemical Class GPCR rhodopsin
UniProt ID
OPRM_HUMAN
Ligand General Information  Top
Ligand Name Cholesterol Ligand Info
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey HVYWMOMLDIMFJA-DPAQBDIFSA-N
PubChem Compound ID 5997
Drug Binding Sites of Target  Top
PDB ID: 8EFO      PZM21-bound mu-opioid receptor-Gi complex
Method Electron microscopy Resolution 2.80 Å Mutation No [1]
PDB Sequence
SMITAITIMA
75
LYSIVCVVGL
85
FGNFLVMYVI
95
VRYTKMKTAT
105
NIYIFNLALA
115

DALATSTLPF
125
QSVNYLMGTW
135
PFGTILCKIV
145
ISIDYYNMFT
155
SIFTLCTMSV
165

DRYIAVCHPV
175
KALDFRTPRN
185
AKIINVCNWI
195
LSSAIGLPVM
205
FMATTKYRQG
215

SIDCTLTFSH
225
PTWYWENLLK
235
ICVFIFAFIM
245
PVLIITVCYG
255
LMILRLKSVR
265

MLSGSKEKDR
275
NLRRITRMVL
285
VVVAVFIVCW
295
TPIHIYVIIK
305
ALVTIPETTF
315

QTVSWHFCIA
325
LGYTNSCLNP
335
VLYAFLDENF
345
KRCFREF
Residue
Distance (Å)
MET101
3.608
ILE107
3.835
PHE110
3.650
ASN111
3.216
LEU114
3.722
LEU118
4.183
TYR151
3.514
ASN152
4.988
PHE154
4.772
PHE158
3.660
VAL165
3.664
TYR168
3.286
ILE169
3.677
HIS173
3.446
LYS176
3.371
LYS187
3.366
VAL191
3.757
TRP194
3.550
LEU196
3.742
ALA199
3.628
ILE200
3.692
PRO203
4.160
MET207
3.981
TRP228
3.674
TYR229
4.230
TRP230
3.966
ASN232
3.401
Residue
Distance (Å)
LEU233
3.758
LEU234
4.176
ILE236
3.658
CYS237
4.062
PHE241
3.631
MET245
3.931
LEU248
3.633
ILE249
3.654
VAL252
3.660
CYS253
4.823
LEU256
4.066
ILE292
4.769
VAL293
4.486
THR296
4.126
PRO297
3.661
ILE300
4.551
TYR301
3.490
ILE304
3.773
ALA306
3.406
LEU307
4.034
ILE310
4.358
PRO311
4.875
PHE315
4.205
GLN316
4.186
SER319
3.082
CYS323
4.413
PDB ID: 8EF6      Morphine-bound mu-opioid receptor-Gi complex
Method Electron microscopy Resolution 3.20 Å Mutation No [1]
PDB Sequence
SMITAITIMA
75
LYSIVCVVGL
85
FGNFLVMYVI
95
VRYTKMKTAT
105
NIYIFNLALA
115

DALATSTLPF
125
QSVNYLMGTW
135
PFGTILCKIV
145
ISIDYYNMFT
155
SIFTLCTMSV
165

DRYIAVCHPV
175
KALDFRTPRN
185
AKIINVCNWI
195
LSSAIGLPVM
205
FMATTKYRQG
215

SIDCTLTFSH
225
PTWYWENLLK
235
ICVFIFAFIM
245
PVLIITVCYG
255
LMILRLKSVR
265

MLSGSKEKDR
275
NLRRITRMVL
285
VVVAVFIVCW
295
TPIHIYVIIK
305
ALVTIPETTF
315

QTVSWHFCIA
325
LGYTNSCLNP
335
VLYAFLDENF
345
KRCFREF
Residue
Distance (Å)
MET101
3.615
ILE107
3.816
PHE110
3.750
ASN111
3.185
LEU114
3.885
LEU118
4.038
TYR151
3.598
PHE158
3.729
TYR168
3.276
LYS187
3.572
ASN190
4.960
VAL191
3.876
TRP194
3.623
LEU196
3.739
ALA199
3.311
ILE200
3.917
PRO203
3.763
MET207
4.279
TRP228
3.326
TYR229
3.705
TRP230
3.805
ASN232
3.261
LEU233
3.927
LEU234
4.221
Residue
Distance (Å)
ILE236
3.727
CYS237
4.286
PHE241
3.591
MET245
4.309
LEU248
3.736
ILE249
4.273
VAL252
3.708
CYS253
4.978
LEU256
3.844
VAL293
4.811
THR296
4.858
PRO297
3.682
ILE300
4.127
TYR301
3.533
ILE304
3.739
ALA306
3.858
LEU307
4.342
ILE310
3.852
PRO311
4.534
PHE315
4.328
GLN316
4.111
SER319
3.070
CYS323
4.473
PDB ID: 8EFL      SR17018-bound mu-opioid receptor-Gi complex
Method Electron microscopy Resolution 3.20 Å Mutation No [1]
PDB Sequence
SMITAITIMA
75
LYSIVCVVGL
85
FGNFLVMYVI
95
VRYTKMKTAT
105
NIYIFNLALA
115

DALATSTLPF
125
QSVNYLMGTW
135
PFGTILCKIV
145
ISIDYYNMFT
155
SIFTLCTMSV
165

DRYIAVCHPV
175
KALDFRTPRN
185
AKIINVCNWI
195
LSSAIGLPVM
205
FMATTKYRQG
215

SIDCTLTFSH
225
PTWYWENLLK
235
ICVFIFAFIM
245
PVLIITVCYG
255
LMILRLKSVR
265

MLSGSKEKDR
275
NLRRITRMVL
285
VVVAVFIVCW
295
TPIHIYVIIK
305
ALVTIPETTF
315

QTVSWHFCIA
325
LGYTNSCLNP
335
VLYAFLDENF
345
KRCFREF
Residue
Distance (Å)
MET101
3.730
ILE107
4.144
PHE110
3.971
ASN111
3.398
LEU114
3.708
LEU118
3.893
TYR151
3.314
ASN152
4.729
PHE158
3.660
TYR168
3.360
HIS173
4.701
LYS187
3.367
VAL191
4.379
TRP194
3.569
LEU196
4.547
ALA199
4.320
ILE200
3.644
PRO203
3.702
MET207
3.628
TRP228
3.483
TYR229
3.719
TRP230
3.550
Residue
Distance (Å)
ASN232
3.231
LEU233
4.026
LEU234
3.783
ILE236
3.856
CYS237
3.728
PHE241
3.635
MET245
4.619
LEU248
3.797
ILE249
3.866
VAL252
3.949
LEU256
3.805
VAL293
4.385
THR296
4.240
PRO297
3.704
ILE300
3.790
TYR301
3.505
ILE304
3.848
ILE310
4.419
PHE315
3.851
SER319
3.181
CYS323
4.388
PDB ID: 8EF5      Fentanyl-bound mu-opioid receptor-Gi complex
Method Electron microscopy Resolution 3.30 Å Mutation No [1]
PDB Sequence
SMITAITIMA
75
LYSIVCVVGL
85
FGNFLVMYVI
95
VRYTKMKTAT
105
NIYIFNLALA
115

DALATSTLPF
125
QSVNYLMGTW
135
PFGTILCKIV
145
ISIDYYNMFT
155
SIFTLCTMSV
165

DRYIAVCHPV
175
KALDFRTPRN
185
AKIINVCNWI
195
LSSAIGLPVM
205
FMATTKYRQG
215

SIDCTLTFSH
225
PTWYWENLLK
235
ICVFIFAFIM
245
PVLIITVCYG
255
LMILRLKSVR
265

MLSGSKEKDR
275
NLRRITRMVL
285
VVVAVFIVCW
295
TPIHIYVIIK
305
ALVTIPETTF
315

QTVSWHFCIA
325
LGYTNSCLNP
335
VLYAFLDENF
345
KRCFREF
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CLR or .CLR2 or .CLR3 or :3CLR;style chemicals stick;color identity;select .R:101 or .R:107 or .R:110 or .R:111 or .R:114 or .R:118 or .R:151 or .R:158 or .R:168 or .R:187 or .R:191 or .R:194 or .R:196 or .R:199 or .R:200 or .R:203 or .R:207 or .R:228 or .R:229 or .R:230 or .R:232 or .R:233 or .R:234 or .R:236 or .R:237 or .R:241 or .R:245 or .R:248 or .R:252 or .R:256 or .R:293 or .R:296 or .R:297 or .R:300 or .R:301 or .R:304 or .R:310 or .R:315 or .R:319 or .R:323; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
MET101
3.682
ILE107
4.406
PHE110
4.179
ASN111
3.715
LEU114
3.692
LEU118
3.814
TYR151
3.898
PHE158
4.225
TYR168
3.314
LYS187
3.386
VAL191
4.371
TRP194
3.682
LEU196
3.910
ALA199
3.424
ILE200
3.746
PRO203
3.714
MET207
3.744
TRP228
3.460
TYR229
3.436
TRP230
3.579
Residue
Distance (Å)
ASN232
3.353
LEU233
4.046
LEU234
3.915
ILE236
4.049
CYS237
3.955
PHE241
3.649
MET245
4.459
LEU248
3.759
VAL252
3.768
LEU256
4.118
VAL293
4.659
THR296
3.820
PRO297
3.759
ILE300
4.220
TYR301
3.514
ILE304
3.797
ILE310
4.480
PHE315
4.310
SER319
3.754
CYS323
4.643
References  Top
REF 1 Molecular recognition of morphine and fentanyl by the human u-opioid receptor. Cell. 2022 Nov 10;185(23):4361-4375.e19.

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