Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T94912 Target Info
Target Name HUMAN C5a receptor (C5aR)
Synonyms CD88; C5aR; C5a-R; C5a anaphylatoxin chemotactic receptor 1; C5R1
Gene Name C5AR1
Biochemical Class GPCR rhodopsin
UniProt ID
C5AR1_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Oleic acid Ligand Info
Structure Description Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 PDB:5O9H
Method X-ray diffraction Resolution 2.70 Å Mutation Yes [1]
PDB Sequence
NTLRVPDILA
40
LVIFAVVFLV
50
GVLGNALVVW
60
VTAFEAKRTI
70
NAIWFLNLAV
80

ADFLACLALP
90
ALFTSIVQHH
100
HWPFGGAACS
110
ILPSLILLNM
120
YASILLLATI
130

SADRFLLVFK
140
PAWCQRFRGA
150
GLAWILCAVA
160
WGLALLLTIP
170
SALYRVVREE
180

YFPPKVLCGV
190
DHDKRRERAV
202
AIVRLVLGFL
212
WPLLTLTICY
222
TFILLRTWSA
232

RETRSTKTLK
242
VVVAVVASFF
252
IFWLPYQVTG
262
IMMSFLEPSS
272
PTFLLLKKLD
282

SLCVSFAYIN
292
CCINPIIYVV
302
AGQGFQKSLP
316
ELLREVLTEE
326
SVVR
Residue
Distance (Å)
ILE38
4.658
LEU41
4.193
VAL42
3.500
ALA45
4.358
VAL46
3.765
ALA63
3.626
ALA66
4.314
LYS67
4.796
ILE70
4.738
TRP74
3.802
LEU76
4.650
VAL80
4.015
LEU84
4.147
PRO90
3.746
PHE93
4.005
THR94
3.669
VAL97
4.120
GLN98
2.343
ALA128
4.330
THR129
4.271
SER131
4.539
ALA132
3.486
ASP133
3.940
PHE135
3.279
LEU136
3.779
PHE139
3.950
LYS140
3.556
TRP143
3.460
PHE147
4.480
ARG148
3.846
GLY149
3.792
GLY151
3.887
LEU152
3.912
ALA153
3.953
TRP154
4.023
ILE155
4.367
LEU156
3.930
ALA158
3.583
VAL159
3.923
GLY162
3.423
LEU163
3.950
LEU166
4.739
ALA201
4.089
Residue
Distance (Å)
ILE204
3.987
VAL205
4.667
LEU207
3.867
VAL208
4.605
PHE211
4.253
LEU212
3.880
TRP213
4.649
LEU215
3.988
LEU216
3.423
THR217
3.864
LEU218
3.435
THR219
3.831
ILE220
3.488
CYS221
4.012
TYR222
4.012
THR223
3.617
PHE224
3.242
LEU226
3.681
LEU227
3.695
ARG228
3.659
THR229
4.915
TRP230
3.149
SER231
3.389
LYS242
3.413
VAL245
3.672
ALA246
3.727
VAL248
4.010
ALA249
3.905
SER250
3.800
PHE252
3.688
ILE253
3.416
PHE254
4.112
LEU256
4.490
VAL260
3.870
ILE263
4.087
MET264
3.929
ILE291
3.907
CYS294
4.301
ILE295
3.550
ILE298
4.072
ILE299
3.988
VAL302
3.817
ALA303
4.363
Ligand Name: n,n-Bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1h-imidazole-5-methanamine Ligand Info
Structure Description Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 PDB:5O9H
Method X-ray diffraction Resolution 2.70 Å Mutation Yes [1]
PDB Sequence
NTLRVPDILA
40
LVIFAVVFLV
50
GVLGNALVVW
60
VTAFEAKRTI
70
NAIWFLNLAV
80

ADFLACLALP
90
ALFTSIVQHH
100
HWPFGGAACS
110
ILPSLILLNM
120
YASILLLATI
130

SADRFLLVFK
140
PAWCQRFRGA
150
GLAWILCAVA
160
WGLALLLTIP
170
SALYRVVREE
180

YFPPKVLCGV
190
DHDKRRERAV
202
AIVRLVLGFL
212
WPLLTLTICY
222
TFILLRTWSA
232

RETRSTKTLK
242
VVVAVVASFF
252
IFWLPYQVTG
262
IMMSFLEPSS
272
PTFLLLKKLD
282

SLCVSFAYIN
292
CCINPIIYVV
302
AGQGFQKSLP
316
ELLREVLTEE
326
SVVR
Residue
Distance (Å)
ILE124
3.679
LEU125
3.408
ALA128
3.591
THR129
3.546
ALA132
4.846
LEU156
3.280
VAL159
3.679
ALA160
3.732
Residue
Distance (Å)
LEU163
3.479
VAL208
4.924
LEU209
3.541
TRP213
2.980
PRO214
3.610
THR217
3.170
LEU218
4.445
References  Top
REF 1 Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727. Nature. 2018 Jan 3;553(7686):111-114.

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