Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T97873 Target Info
Target Name C-C chemokine receptor type 9 (CCR9)
Synonyms Gprotein coupled receptor 28; GPR96; GPR28; GPR-9-6; G-protein coupled receptor 28; CDw199; CCR-9; CCCKR9; CC-CKR-9; CC chemokine receptor type 9; CC CKR9; C-C CKR-9
Target Type Clinical trial Target
Gene Name CCR9
Biochemical Class GPCR rhodopsin
UniProt ID
CCR9_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Vercirnon Ligand Info
Structure Description Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon PDB:5LWE
Method X-ray diffraction Resolution 2.80 Å Mutation No [1]
PDB Sequence
RQFASHFLPP
53
LYWLVFIVGA
63
LGNSLVILVY
73
WYCARAKTAT
83
DMFLLNLAIA
93

DLLFLVTLPF
103
WAIATFMCKV
121
VNSMYKMNFY
131
SCVLLIMCIC
141
VDRYIAIAQA
151

MRAHTWREKR
161
LLYSKMVCFT
171
IWVLAAALCI
181
PEILYCTTKL
210
KSAVLALKVI
220

LGFFLPFVVM
230
ACCYTIIIHT
240
LIQAKKSSKH
250
KALKATITVL
260
TVFVLSQFPY
270

NCILLVQTID
280
AYAMFISNCA
290
VSTAIDICFQ
300
VTQAIAFFHS
310
CLNPVLYVFV
320

GERFRRDLVK
330
TLKNLGAISQ
340
AAAHH
Residue
Distance (Å)
VAL69
3.377
VAL72
3.851
TYR73
3.813
CYS76
4.795
ARG78
3.333
LYS80
4.565
THR81
3.186
THR83
3.659
ASP84
3.113
LEU87
3.590
LEU88
4.359
ILE140
3.739
Residue
Distance (Å)
ARG144
3.408
ALA252
3.927
ALA255
3.562
THR256
3.532
VAL259
3.678
TYR317
3.594
VAL320
4.976
GLY321
3.031
GLU322
3.166
ARG323
2.744
PHE324
2.942
ASP327
3.530
Ligand Name: Cholesterol Ligand Info
Structure Description Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon PDB:5LWE
Method X-ray diffraction Resolution 2.80 Å Mutation No [1]
PDB Sequence
RQFASHFLPP
53
LYWLVFIVGA
63
LGNSLVILVY
73
WYCARAKTAT
83
DMFLLNLAIA
93

DLLFLVTLPF
103
WAIATFMCKV
121
VNSMYKMNFY
131
SCVLLIMCIC
141
VDRYIAIAQA
151

MRAHTWREKR
161
LLYSKMVCFT
171
IWVLAAALCI
181
PEILYCTTKL
210
KSAVLALKVI
220

LGFFLPFVVM
230
ACCYTIIIHT
240
LIQAKKSSKH
250
KALKATITVL
260
TVFVLSQFPY
270

NCILLVQTID
280
AYAMFISNCA
290
VSTAIDICFQ
300
VTQAIAFFHS
310
CLNPVLYVFV
320

GERFRRDLVK
330
TLKNLGAISQ
340
AAAHH
Residue
Distance (Å)
LYS254
4.329
THR258
4.126
VAL262
4.373
PHE308
3.546
LEU312
3.811
Residue
Distance (Å)
VAL315
4.645
LEU316
3.707
PHE319
4.061
VAL320
3.941
Ligand Name: Oleic acid Ligand Info
Structure Description Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon PDB:5LWE
Method X-ray diffraction Resolution 2.80 Å Mutation No [1]
PDB Sequence
RQFASHFLPP
53
LYWLVFIVGA
63
LGNSLVILVY
73
WYCARAKTAT
83
DMFLLNLAIA
93

DLLFLVTLPF
103
WAIATFMCKV
121
VNSMYKMNFY
131
SCVLLIMCIC
141
VDRYIAIAQA
151

MRAHTWREKR
161
LLYSKMVCFT
171
IWVLAAALCI
181
PEILYCTTKL
210
KSAVLALKVI
220

LGFFLPFVVM
230
ACCYTIIIHT
240
LIQAKKSSKH
250
KALKATITVL
260
TVFVLSQFPY
270

NCILLVQTID
280
AYAMFISNCA
290
VSTAIDICFQ
300
VTQAIAFFHS
310
CLNPVLYVFV
320

GERFRRDLVK
330
TLKNLGAISQ
340
AAAHH
Click to Show 3D Structure of This Binding Site
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Residue
Distance (Å)
PRO52
3.717
PRO53
4.212
TRP56
3.347
PHE59
3.889
ILE60
3.728
VAL61
4.011
ALA63
3.942
LEU64
3.060
GLY65
4.128
SER67
3.770
LEU68
3.456
ILE70
3.473
LEU71
3.726
TRP74
2.484
ALA82
4.037
MET85
4.634
PHE86
4.328
LEU88
3.949
ASN89
3.759
ILE92
3.913
LEU95
3.992
LEU96
3.431
VAL99
4.925
PRO102
3.614
PHE103
4.470
ALA105
3.855
ILE106
3.527
MET125
4.111
MET138
3.804
CYS139
3.795
VAL142
3.743
ASP143
3.078
TYR145
3.613
ILE146
3.745
ARG161
3.510
TYR164
2.728
SER165
4.359
LYS166
3.815
MET167
3.522
VAL168
3.939
Residue
Distance (Å)
CYS169
3.269
PHE170
3.587
TRP173
3.276
VAL174
3.899
ALA177
3.309
ALA178
3.405
ILE181
3.498
ALA231
4.056
CYS232
4.218
TYR234
3.342
THR235
3.235
ILE236
4.163
ILE237
4.556
ILE238
3.642
HIS239
3.614
LEU241
3.526
GLN243
4.778
HIS250
2.967
LYS254
4.084
ILE257
3.756
THR258
3.740
THR261
3.871
VAL262
3.936
VAL264
4.417
LEU265
3.518
SER266
4.161
ALA304
4.555
ILE305
4.067
PHE308
3.865
LEU312
4.025
PRO314
4.678
VAL315
3.893
VAL318
4.486
PHE319
3.617
LEU328
3.557
LEU332
3.894
LEU335
3.539
GLY336
3.518
SER339
2.687
References  Top
REF 1 Intracellular allosteric antagonism of the CCR9 receptor. Nature. 2016 Dec 15;540(7633):462-465.

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