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 T16016 Target Info
Target Name C-C chemokine receptor type 1 (CCR1)
Synonyms SCYAR1; RANTES-R; Macrophage inflammatory protein-1 alpha receptor; Macrophage inflammatory protein 1-alpha receptor; MIP-1alpha-R; LD78 receptor; HM145; Chemokine receptor CCR1; CMKR1; CMKBR1; CD191; CCR-1; CC-CKR-1; C-C CKR-1
Target Type Clinical trial Target
Gene Name CCR1
Biochemical Class GPCR rhodopsin
UniProt ID
CCR1_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: 7VL9      Cryo-EM structure of the CCL15(26-92) bound CCR1-Gi complex
Method Electron microscopy Resolution 2.60 Å Mutation Yes [1]
PDB Sequence
DYGDATPCQK
26
VNERAFGAQL
36
LPPLYSLVFV
46
IGLVGNILVV
56
LVLVQYKRLK
66

NMTSIYLLNL
76
AISDLLFLFT
86
LPFWIDYKLK
96
DDWVFGDAMC
106
KILSGFYYTG
116

LYSEIFFIIL
126
LTIDRYLAIV
136
HAVFALRART
146
VTFGVITSII
156
IWALAILASM
166

PGLYFSKTQW
176
EFTHHTCSLH
186
FPHESLREWK
196
LFQALKLNLF
206
GLVLPLLVMI
216

ICYTGIIKIL
226
LRRPNEKKSK
236
AVRLIFVIMI
246
IFFLFWTPYN
256
LTILISVFQD
266

FLFTHECEQS
276
RHLDLAVQVT
286
EVIAYTHCCV
296
NPVIYAFVGE
306
RFRKYLRQLF
316

HR
Residue
Distance (Å)
LYS66
4.823
ILE71
3.386
LEU74
4.093
ASN75
3.464
ILE78
3.655
LEU82
4.004
PHE112
3.716
Residue
Distance (Å)
THR115
3.881
VAL151
3.914
SER154
3.799
ILE155
3.625
TRP158
3.236
ILE162
3.785
PDB ID: 7VLA      Cryo-EM structure of the CCL15(27-92) bound CCR1-Gi complex
Method Electron microscopy Resolution 2.70 Å Mutation Yes [1]
PDB Sequence
DYGDATPCQK
26
VNERAFGAQL
36
LPPLYSLVFV
46
IGLVGNILVV
56
LVLVQYKRLK
66

NMTSIYLLNL
76
AISDLLFLFT
86
LPFWIDYKLK
96
DDWVFGDAMC
106
KILSGFYYTG
116

LYSEIFFIIL
126
LTIDRYLAIV
136
HAVFALRART
146
VTFGVITSII
156
IWALAILASM
166

PGLYFSKTQW
176
EFTHHTCSLH
186
FPHESLREWK
196
LFQALKLNLF
206
GLVLPLLVMI
216

ICYTGIIKIL
226
LRRPNEKKSK
236
AVRLIFVIMI
246
IFFLFWTPYN
256
LTILISVFQD
266

FLFTHECEQS
276
RHLDLAVQVT
286
EVIAYTHCCV
296
NPVIYAFVGE
306
RFRKYLRQLF
316

HR
Residue
Distance (Å)
ILE71
3.419
LEU74
3.943
ASN75
3.409
ILE78
3.708
LEU82
3.986
PHE112
3.693
Residue
Distance (Å)
THR115
3.827
VAL151
4.103
SER154
3.916
ILE155
4.417
TRP158
3.375
ILE162
3.914
PDB ID: 7VL8      Cryo-EM structure of the Apo CCR1-Gi complex
Method Electron microscopy Resolution 2.90 Å Mutation Yes [1]
PDB Sequence
QLLPPLYSLV
44
FVIGLVGNIL
54
VVLVLVQYKR
64
LKNMTSIYLL
74
NLAISDLLFL
84

FTLPFWIDYK
94
LKDDWVFGDA
104
MCKILSGFYY
114
TGLYSEIFFI
124
ILLTIDRYLA
134

IVHAVFALRA
144
RTVTFGVITS
154
IIIWALAILA
164
SMPGLYFSKT
174
QWEFTHHTCS
184

LHFPHESLRE
194
WKLFQALKLN
204
LFGLVLPLLV
214
MIICYTGIIK
224
ILLRRPNEKK
234

SKAVRLIFVI
244
MIIFFLFWTP
254
YNLTILISVF
264
QDFLFTHECE
274
QSRHLDLAVQ
284

VTEVIAYTHC
294
CVNPVIYAFV
304
GERFRKYLRQ
314
LFHR
Residue
Distance (Å)
ILE71
4.565
LEU74
4.737
ASN75
3.413
ILE78
4.125
PHE112
3.467
THR115
4.607
Residue
Distance (Å)
VAL151
3.436
SER154
4.143
ILE155
4.307
TRP158
3.339
ILE162
3.456
References  Top
REF 1 Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1. Nat Chem Biol. 2022 Mar;18(3):264-271.

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