Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T59626 | Target Info | |||
| Target Name | Leukotriene B4 receptor 1 (LTB4R) | ||||
| Synonyms | P2Y7; P2Y purinoceptor 7; P2RY7; Leukotriene B(4) receptor BLT1; LTB4-R1; LTB4-R 1; LTB4-R; GPR16; G-protein coupled receptor 16; Chemoattractant receptor-like 1; CMKRL1; BLTR; BLT1; BLT | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | LTB4R | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: LTB4 | Ligand Info | |||||
| Structure Description | cryo-EM structure of LTB4-bound BLT1 in complex with Gi protein | PDB:7VKT | ||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
EFISLLAIIL
24 LSVALAVGLP34 GNSFVVWSIL44 KRMQKRSVTA54 LMVLNLALAD64 LAVLLTAPFF 74 LHFLAQGTWS84 FGLAGCRLCH94 YVCGVSMYAS104 VWLITAMSLD114 RSLAVARPFV 124 SQKLRTKAMA134 RRVLAGIWVL144 SFLLATPVLA154 YRTVVPWKTN164 MSLCFPRYPS 174 EGHRAFHLIF184 EAVTGFLLPF194 LIVVASYSDI204 GRRLQARRFR214 RSRRTGRLVV 224 LIILTFAAFW234 LPYHVVNLAE244 AGRALAGQAA254 GLGLVGKRLS264 LARNVLIALA 274 FLSSSVNPVL284 YAFAGGGLLR294 SAGVGFV
|
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|
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ALA21
4.333
LEU25
4.513
PHE74
3.457
PHE77
3.838
LEU78
3.237
HIS94
4.510
CYS97
4.619
GLY98
3.930
MET101
3.587
TYR102
3.718
VAL105
3.699
|
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| Ligand Name: flavin mononucleotide | Ligand Info | |||||
| Structure Description | Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective Antagonist MK-D-046 | PDB:7K15 | ||||
| Method | X-ray diffraction | Resolution | 2.88 Å | Mutation | Yes | [2] |
| PDB Sequence |
GVEFISLLAI
22 ILLSVALAVG32 LPGNSFVVWS42 ILKRMQKRSV52 TALMVLNLAL62 ADLAVLLTAP 72 FFLHFLAQGT82 WSFGLAGCRL92 CHYVCGVSMY102 ASVWLITAMS112 LDRYLAVARP 122 FVSQKLRTKA132 MARRVLAGIW142 VLSFLLATPV152 LAYRTVVPWK162 TNMSLCFPRY 172 PSEGHRAFHL182 IFEAVTGFLL192 PFLIVVASYS202 DIGRRLQARR212 AKALIVYGST 1011 TGNTEYTAET1021 IARELADAGY1031 EVDSRDAASV1041 EAGGLFEGFD1051 LVLLGCSTWG 1061 DDSIELQDDF1071 IPLFDSLEET1081 GAQGRKVACF1091 GCGDSSWEYF1101 CGAVDAIEEK 1111 LKNLGAEIVQ1121 DGLRIDGDPR1131 AARDDIVGWA1141 HDVRGAIRRF213 RRSRRTGRLV 223 VLIILTFAAF233 WLPYHVVNLA243 EAGRALAGQA253 AGLGLVGKRL263 SLARNVLIAL 273 AFLSSSVNPV283 LYAFAGGGLL293 RSAGVGFVAK303 LLEGTGAEFL313 EVLFQ |
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GLY1009
3.671
SER1010
2.740
THR1011
3.306
THR1012
2.660
GLY1013
3.167
ASN1014
2.763
THR1015
3.222
SER1058
2.561
THR1059
2.786
TRP1060
3.360
GLY1061
2.967
ASP1062
4.577
|
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| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective Antagonist MK-D-046 | PDB:7K15 | ||||
| Method | X-ray diffraction | Resolution | 2.88 Å | Mutation | Yes | [2] |
| PDB Sequence |
GVEFISLLAI
22 ILLSVALAVG32 LPGNSFVVWS42 ILKRMQKRSV52 TALMVLNLAL62 ADLAVLLTAP 72 FFLHFLAQGT82 WSFGLAGCRL92 CHYVCGVSMY102 ASVWLITAMS112 LDRYLAVARP 122 FVSQKLRTKA132 MARRVLAGIW142 VLSFLLATPV152 LAYRTVVPWK162 TNMSLCFPRY 172 PSEGHRAFHL182 IFEAVTGFLL192 PFLIVVASYS202 DIGRRLQARR212 AKALIVYGST 1011 TGNTEYTAET1021 IARELADAGY1031 EVDSRDAASV1041 EAGGLFEGFD1051 LVLLGCSTWG 1061 DDSIELQDDF1071 IPLFDSLEET1081 GAQGRKVACF1091 GCGDSSWEYF1101 CGAVDAIEEK 1111 LKNLGAEIVQ1121 DGLRIDGDPR1131 AARDDIVGWA1141 HDVRGAIRRF213 RRSRRTGRLV 223 VLIILTFAAF233 WLPYHVVNLA243 EAGRALAGQA253 AGLGLVGKRL263 SLARNVLIAL 273 AFLSSSVNPV283 LYAFAGGGLL293 RSAGVGFVAK303 LLEGTGAEFL313 EVLFQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:106 or .A:133 or .A:136 or .A:137 or .A:140 or .A:141 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | cryo-EM structure of LTB4-bound BLT1 in complex with Gi protein | PDB:7VKT | ||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
EFISLLAIIL
24 LSVALAVGLP34 GNSFVVWSIL44 KRMQKRSVTA54 LMVLNLALAD64 LAVLLTAPFF 74 LHFLAQGTWS84 FGLAGCRLCH94 YVCGVSMYAS104 VWLITAMSLD114 RSLAVARPFV 124 SQKLRTKAMA134 RRVLAGIWVL144 SFLLATPVLA154 YRTVVPWKTN164 MSLCFPRYPS 174 EGHRAFHLIF184 EAVTGFLLPF194 LIVVASYSDI204 GRRLQARRFR214 RSRRTGRLVV 224 LIILTFAAFW234 LPYHVVNLAE244 AGRALAGQAA254 GLGLVGKRLS264 LARNVLIALA 274 FLSSSVNPVL284 YAFAGGGLLR294 SAGVGFV
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y01 or .Y012 or .Y013 or :3Y01;style chemicals stick;color identity;select .A:17 or .A:20 or .A:50 or .A:55 or .A:59 or .A:62 or .A:66 or .A:96 or .A:135 or .A:138 or .A:142 or .A:146 or .A:194 or .A:198 or .A:201 or .A:202 or .A:205 or .A:208 or .A:209 or .A:215 or .A:216 or .A:219 or .A:220 or .A:223 or .A:224 or .A:227 or .A:232 or .A:235 or .A:236 or .A:239 or .A:240 or .A:243 or .A:259 or .A:262 or .A:263 or .A:265 or .A:266 or .A:269 or .A:270 or .A:273; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE17
4.947
LEU20
4.548
ARG50
3.889
LEU55
4.111
ASN59
3.587
LEU62
3.856
ALA66
4.491
VAL96
3.771
ARG135
3.451
LEU138
4.174
TRP142
3.832
PHE146
3.508
PHE194
4.922
VAL198
4.178
TYR201
3.901
SER202
4.191
GLY205
3.928
LEU208
4.646
GLN209
3.612
ARG215
4.115
|
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| Ligand Name: [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2S,3R,5R,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate | Ligand Info | |||||
| Structure Description | cryo-EM structure of LTB4-bound BLT1 in complex with Gi protein | PDB:7VKT | ||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
EFISLLAIIL
24 LSVALAVGLP34 GNSFVVWSIL44 KRMQKRSVTA54 LMVLNLALAD64 LAVLLTAPFF 74 LHFLAQGTWS84 FGLAGCRLCH94 YVCGVSMYAS104 VWLITAMSLD114 RSLAVARPFV 124 SQKLRTKAMA134 RRVLAGIWVL144 SFLLATPVLA154 YRTVVPWKTN164 MSLCFPRYPS 174 EGHRAFHLIF184 EAVTGFLLPF194 LIVVASYSDI204 GRRLQARRFR214 RSRRTGRLVV 224 LIILTFAAFW234 LPYHVVNLAE244 AGRALAGQAA254 GLGLVGKRLS264 LARNVLIALA 274 FLSSSVNPVL284 YAFAGGGLLR294 SAGVGFV
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8IO or .8IO2 or .8IO3 or :38IO;style chemicals stick;color identity;select .A:52 or .A:56 or .A:106 or .A:109 or .A:110 or .A:111 or .A:113 or .A:114 or .A:116 or .A:117 or .A:120 or .A:121 or .A:125 or .A:128 or .A:129 or .A:130 or .A:133 or .A:134 or .A:137 or .A:141 or .A:192 or .A:195 or .A:196 or .A:203 or .A:207; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL52
4.879
MET56
3.091
TRP106
3.857
THR109
4.395
ALA110
3.198
MET111
4.701
LEU113
3.757
ASP114
2.896
SER116
3.826
LEU117
3.655
ALA120
3.701
ARG121
3.251
SER125
4.268
|
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| Ligand Name: N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective Antagonist MK-D-046 | PDB:7K15 | ||||
| Method | X-ray diffraction | Resolution | 2.88 Å | Mutation | Yes | [2] |
| PDB Sequence |
GVEFISLLAI
22 ILLSVALAVG32 LPGNSFVVWS42 ILKRMQKRSV52 TALMVLNLAL62 ADLAVLLTAP 72 FFLHFLAQGT82 WSFGLAGCRL92 CHYVCGVSMY102 ASVWLITAMS112 LDRYLAVARP 122 FVSQKLRTKA132 MARRVLAGIW142 VLSFLLATPV152 LAYRTVVPWK162 TNMSLCFPRY 172 PSEGHRAFHL182 IFEAVTGFLL192 PFLIVVASYS202 DIGRRLQARR212 AKALIVYGST 1011 TGNTEYTAET1021 IARELADAGY1031 EVDSRDAASV1041 EAGGLFEGFD1051 LVLLGCSTWG 1061 DDSIELQDDF1071 IPLFDSLEET1081 GAQGRKVACF1091 GCGDSSWEYF1101 CGAVDAIEEK 1111 LKNLGAEIVQ1121 DGLRIDGDPR1131 AARDDIVGWA1141 HDVRGAIRRF213 RRSRRTGRLV 223 VLIILTFAAF233 WLPYHVVNLA243 EAGRALAGQA253 AGLGLVGKRL263 SLARNVLIAL 273 AFLSSSVNPV283 LYAFAGGGLL293 RSAGVGFVAK303 LLEGTGAEFL313 EVLFQ |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VRJ or .VRJ2 or .VRJ3 or :3VRJ;style chemicals stick;color identity;select .A:25 or .A:67 or .A:74 or .A:77 or .A:78 or .A:94 or .A:97 or .A:98 or .A:101 or .A:156 or .A:168 or .A:169 or .A:170 or .A:185 or .A:234 or .A:237 or .A:267 or .A:268 or .A:271 or .A:274 or .A:275; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU25
4.002
VAL67
3.391
PHE74
3.419
PHE77
3.962
LEU78
3.316
HIS94
2.858
CYS97
3.236
GLY98
4.705
MET101
3.947
ARG156
2.837
CYS168
3.218
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of leukotriene B4 receptor 1 activation. Nat Commun. 2022 Mar 3;13(1):1156. | ||||
| REF 2 | Structural insights on ligand recognition at the human leukotriene B4 receptor 1. Nat Commun. 2021 May 20;12(1):2971. | ||||
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