Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T10491 Target Info
Target Name C-X-C chemokine receptor type 7 (ACKR3)
Synonyms RDC1; RDC-1; Gprotein coupled receptor RDC1 homolog; Gprotein coupled receptor 159; GPR159; G-protein coupled receptor RDC1 homolog; G-protein coupled receptor 159; Chemokine orphan receptor 1; CXCR7; CXCR-7; CXC-R7; CXC chemokine receptor type 7; CMKOR1; Atypical chemokine receptor 3
Target Type Preclinical Target
Gene Name ACKR3
Biochemical Class GPCR rhodopsin
UniProt ID
ACKR3_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Cholesterol Ligand Info
Structure Description Cryo-EM structure of ACKR3 in complex with chemokine N-terminal mutant CXCL12_LRHQ, an intracellular Fab, and an extracellular Fab PDB:7SK4
Method Electron microscopy Resolution 3.30 Å Mutation Yes [1]
PDB Sequence
IVVDTVMCPN
36
MPNKSVLLYT
46
LSFIYIFIFV
56
IGMIANSVVV
66
WVNIQAKTTG
76

YDTHCYILNL
86
AIADLWVVLT
96
IPVWVVSLVQ
106
HNQWPMGELT
116
CKVTHLIFSI
126

NLFGSIFFLT
136
CMSVDRYLSI
146
TYFTNTPSSR
156
KKMVRRVVCI
166
LVWLLAFCVS
176

LPDTYYLKTV
186
TSASNNETYC
196
RSFYPEHSIK
206
EWLIGMELVS
216
VVLGFAVPFS
226

IIAVFYFLLA
236
RAISASSDQE
246
KHSSRKIIFS
256
YVVVFLVCWL
266
PYHVAVLLDI
276

FSILHYIPFT
286
CRLEHALFTA
296
LHVTQCLSLV
306
HCCVNPVLYS
316
FINRNYRYEL
326

MKAFI
Residue
Distance (Å)
CYS81
4.663
TYR82
4.655
LEU84
3.394
ASN85
2.776
ILE88
2.397
TRP92
2.904
LEU122
3.649
ILE123
2.884
ILE126
2.619
ASN127
2.580
ILE132
4.746
PHE133
2.474
THR136
2.618
CYS137
2.530
VAL140
2.844
LEU144
2.554
Residue
Distance (Å)
TYR148
3.050
PHE149
2.270
VAL160
2.528
ARG162
4.674
VAL164
2.433
CYS165
2.998
ILE166
3.858
LEU167
4.273
VAL168
3.608
TRP169
2.740
LEU171
2.993
PHE173
3.893
LEU219
3.466
VAL223
2.300
PRO224
2.840
ILE227
2.987
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium Ligand Info
Structure Description Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, and an extracellular Fab PDB:7SK7
Method Electron microscopy Resolution 3.30 Å Mutation No [1]
PDB Sequence
CIVVDTVMCP
35
NMPNKSVLLY
45
TLSFIYIFIF
55
VIGMIANSVV
65
VWVNIQHCYI
83

LNLAIADLWV
93
VLTIPVWVVS
103
LVQHNQWPMG
113
ELTCKVTHLI
123
FSINLFGSIF
133

FLTCMSVDRY
143
LSITYRKKMV
160
RRVVCILVWL
170
LAFCVSLPDT
180
YYLKTVTSAS
190

NNETYCRSFY
200
PEHSIKEWLI
210
GMELVSVVLG
220
FAVPFSIIAV
230
FYFLLARSRK
252

IIFSYVVVFL
262
VCWLPYHVAV
272
LLDIFSILHY
282
IPFTCRLEHA
292
LFTALHVTQC
302

LSLVHCCVNP
312
VLYSFIN
Residue
Distance (Å)
TYR51
2.597
ILE97
4.109
TRP100
2.710
SER103
2.764
LEU104
3.256
ASN108
2.583
TRP110
4.039
HIS121
2.175
PHE124
2.221
SER125
2.422
LEU128
2.217
PHE129
3.006
ILE132
2.450
Residue
Distance (Å)
ASP179
4.683
CYS196
4.973
SER216
2.424
GLY220
2.498
PHE221
4.106
TRP265
2.704
TYR268
2.234
HIS269
2.001
HIS298
4.701
GLN301
2.575
CYS302
4.789
SER304
3.150
LEU305
2.171
Click to View More Binding Site Information of This Target and Ligand Pair
References  Top
REF 1 Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv. 2022 Jul 15;8(28):eabn8063.

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