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 T56923 Target Info
Target Name C-X-C chemokine receptor type 2 (CXCR2)
Synonyms Interleukin-8 receptor B; IL8RB; IL-8R B; IL-8 receptor type 2; High affinity interleukin-8 receptor B; GRO/MGSA receptor; CXCR-2; CXC-R2; CDw128b; CD182
Target Type Successful Target
Gene Name CXCR2
Biochemical Class GPCR rhodopsin
UniProt ID
CXCR2_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: 6LFO      Cryo-EM structure of a class A GPCR monomer
Method Electron microscopy Resolution 3.40 Å Mutation No [1]
PDB Sequence
SSTLPPFLLD
35
AAPCEPESLE
45
INKYFVVIIY
55
ALVFLLSLLG
65
NSLVMLVILY
75

SRVGRSVTDV
85
YLLNLALADL
95
LFALTLPIWA
105
ASKVNGWIFG
115
TFLCKVVSLL
125

KEVNFYSGIL
135
LLACISVDRY
145
LAIVHATRTL
155
TQKRYLVKFI
165
CLSIWGLSLL
175

LALPVLLFRR
185
TVYSSNVSPA
195
CYEDMGNNTA
205
NWRMLLRILP
215
QSFGFIVPLL
225

IMLFCYGFTL
235
RTLFKAHMGQ
245
KHRAMRVIFA
255
VVLIFLLCWL
265
PYNLVLLADT
275

LMRTQVIQET
285
CERRNHIDRA
295
LDATEILGIL
305
HSCLNPLIYA
315
FIGQKFRHGL
325

LKILAIH
Residue
Distance (Å)
VAL85
4.271
LEU88
3.950
ASN89
3.560
LEU92
3.812
LEU96
3.605
VAL121
4.866
Residue
Distance (Å)
LEU124
4.082
LEU125
3.809
CYS166
4.728
LEU167
3.536
TRP170
3.832
LEU174
4.227
PDB ID: 6LFM      Cryo-EM structure of a class A GPCR
Method Electron microscopy Resolution 3.50 Å Mutation No [1]
PDB Sequence
SSTLPPFLLD
35
AAPCEPESLE
45
INKYFVVIIY
55
ALVFLLSLLG
65
NSLVMLVILY
75

SRVGRSVTDV
85
YLLNLALADL
95
LFALTLPIWA
105
ASKVNGWIFG
115
TFLCKVVSLL
125

KEVNFYSGIL
135
LLACISVDRY
145
LAIVHATRTL
155
TQKRYLVKFI
165
CLSIWGLSLL
175

LALPVLLFRR
185
TVYSSNVSPA
195
CYEDMGNNTA
205
NWRMLLRILP
215
QSFGFIVPLL
225

IMLFCYGFTL
235
RTLFKAHMGQ
245
KHRAMRVIFA
255
VVLIFLLCWL
265
PYNLVLLADT
275

LMRTQVIQET
285
CERRNHIDRA
295
LDATEILGIL
305
HSCLNPLIYA
315
FIGQKFRHGL
325

LKILAIH
Residue
Distance (Å)
VAL85
4.607
LEU88
4.596
ASN89
3.233
LEU92
3.498
LEU96
3.064
VAL121
4.606
LEU124
4.430
Residue
Distance (Å)
LEU125
2.940
VAL128
4.403
CYS166
4.593
LEU167
3.426
TRP170
3.611
LEU174
4.262
References  Top
REF 1 Structural basis of CXC chemokine receptor 2 activation and signalling. Nature. 2020 Sep;585(7823):135-140.

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