Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03691 | Target Info | |||
| Target Name | Leukotriene A-4 hydrolase (LTA4H) | ||||
| Synonyms | Leukotriene A4 hydrolase; Leukotriene A(4)Leukotriene A-4 hydrolase hydrolase; Leukotriene A(4) hydrolase; LTA4; LTA-H; LTA-4hydrolase; LTA-4 hydrolase | ||||
| Target Type | Successful Target | ||||
| Gene Name | LTA4H | ||||
| Biochemical Class | Ether bond hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Bestatin | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment 5-hydroxyindole and bestatin | PDB:3FUH | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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GLN134
3.663
GLN136
2.780
ALA137
4.077
TYR267
3.300
GLY268
2.750
GLY269
3.239
MET270
3.368
GLU271
2.609
ASN291
3.873
VAL292
4.003
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Captopril | Ligand Info | |||||
| Structure Description | Structure of human Leukotriene A4 hydrolase in complex with inhibitor captopril | PDB:4DPR | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [2] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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| Ligand Name: Vorinostat | Ligand Info | |||||
| Structure Description | Structure of Human Leukotriene A4 Hydrolase in complex with inhibitor H1 | PDB:4R7L | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [3] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKV |
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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 .SHH or .SHH2 or .SHH3 or :3SHH;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Bufexamac | Ligand Info | |||||
| Structure Description | Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ | PDB:5BPP | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [4] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .A4Z or .A4Z2 or .A4Z3 or :3A4Z;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:374 or .A:375 or .A:378 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Resveratrol | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with resveratrol | PDB:3FTS | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .STL or .STL2 or .STL3 or :3STL;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:362 or .A:364 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:381 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN134
4.735
GLN136
2.945
ALA137
3.225
TYR267
3.439
TRP311
2.641
ASP312
3.212
HIS313
3.916
PHE314
3.357
TRP315
4.713
PHE362
3.601
LYS364
4.577
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| Ligand Name: (R)-2-(4-Benzylphenoxymethyl)pyrrolidine | Ligand Info | |||||
| Structure Description | Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine. | PDB:3FH5 | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [5] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .24P or .24P2 or .24P3 or :324P;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:311 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(pyridin-3-ylmethyl)aniline | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment N-(pyridin-3-ylmethyl)aniline | PDB:3FTV | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .11X or .11X2 or .11X3 or :311X;style chemicals stick;color identity;select .A:136 or .A:137 or .A:267 or .A:311 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (4-fluorophenyl)(pyridin-4-yl)methanone | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment 4-(4-fluorobenzoyl)pyridine | PDB:3FU0 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .22F or .22F2 or .22F3 or :322F;style chemicals stick;color identity;select .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:314 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-hydroxyindole | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment 5-hydroxyindole and bestatin | PDB:3FUH | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .5H1 or .5H12 or .5H13 or :35H1;style chemicals stick;color identity;select .A:137 or .A:311 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole | PDB:3FUJ | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .00G or .00G2 or .00G3 or :300G;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:311 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with dihydroresveratrol | PDB:3FTU | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .RE2 or .RE22 or .RE23 or :3RE2;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:362 or .A:364 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:381 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN134
4.631
GLN136
3.214
ALA137
3.452
TYR267
3.544
TRP311
2.498
ASP312
3.204
HIS313
4.079
PHE314
3.405
TRP315
4.870
PHE362
3.858
LYS364
4.653
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(2-amino-1,3-thiazol-4-yl)phenol | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment 4-(2-amino-1,3-thiazol-4-yl)phenol | PDB:3FU3 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .92G or .92G2 or .92G3 or :392G;style chemicals stick;color identity;select .A:137 or .A:311 or .A:314 or .A:315 or .A:343 or .A:344 or .A:346 or .A:347 or .A:350 or .A:362 or .A:363 or .A:364 or .A:365 or .A:366 or .A:367 or .A:369 or .A:374 or .A:377 or .A:378 or .A:379 or .A:381 or .A:382 or .A:457 or .A:462 or .A:465 or .A:469 or .A:501 or .A:505; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA137
3.984
TRP311
3.219
PHE314
3.410
TRP315
4.336
LEU343
2.992
GLY344
4.009
TRP346
4.142
GLY347
3.288
GLN350
3.591
PHE362
3.114
THR363
4.851
LYS364
2.925
LEU365
2.377
VAL366
4.158
|
|||||
| Ligand Name: (4-(thiophen-2-yl)phenyl)methanamine | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment (4-thiophen-2-ylphenyl)methanamine | PDB:3FU6 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .80G or .80G2 or .80G3 or :380G;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: DG051 | Ligand Info | |||||
| Structure Description | Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate. | PDB:3FH7 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [5] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .25P or .25P2 or .25P3 or :325P;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:265 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.045
GLN136
3.137
ALA137
3.744
PHE265
4.998
TYR267
3.231
GLY269
2.853
MET270
3.234
GLU271
2.868
HIS295
3.291
GLU296
2.813
HIS299
3.161
TRP311
3.085
|
|||||
| Ligand Name: 3-(Benzyloxy)Pyridin-2-Amine | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine | PDB:3FTY | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .3IP or .3IP2 or .3IP3 or :33IP;style chemicals stick;color identity;select .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (R)-N-benzyl-4-(pyrrolidin-2-ylmethoxy)aniline | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline | PDB:3FUI | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
DTCSLASPAS
14 VCRTKHLHLR24 CSVDFTRRTL34 TGTAALTVQS44 QEDNLRSLVL54 DTKDLTIEKV 64 VINGQEVKYA74 LGERQSYKGS84 PMEISLPIAL94 SKNQEIVIEI104 SFETSPKSSA 114 LQWLTPEQTS124 GKEHPYLFSQ134 CQAIHCRAIL144 PCQDTPSVKL154 TYTAEVSVPK 164 ELVALMSAIR174 DGETPDPEDP184 SRKIYKFIQK194 VPIPCYLIAL204 VVGALESRQI 214 GPRTLVWSEK224 EQVEKSAYEF234 SETESMLKIA244 EDLGGPYVWG254 QYDLLVLPPS 264 FPYGGMENPC274 LTFVTPTLLA284 GDKSLSNVIA294 HEISHSWTGN304 LVTNKTWDHF 314 WLNEGHTVYL324 ERHICGRLFG334 EKFRHFNALG344 GWGELQNSVK354 TFGETHPFTK 364 LVVDLTDIDP374 DVAYSSVPYE384 KGFALLFYLE394 QLLGGPEIFL404 GFLKAYVEKF 414 SYKSITTDDW424 KDFLYSYFKD434 KVDVLNQVDW444 NAWLYSPGLP454 PIKPNYDMTL 464 TNACIALSQR474 WITAKEDDLN484 SFNATDLKDL494 SSHQLNEFLA504 QTLQRAPLPL 514 GHIKRMQEVY524 NFNAINNSEI534 RFRWLRLCIQ544 SKWEDAIPLA554 LKMATEQGRM 564 KFTRPLFKDL574 AAFDKSHDQA584 VRTYQEHKAS594 MHPVTAMLVG604 KDLKVD |
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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 .812 or .8122 or .8123 or :3812;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:311 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-methyl-1-(2-thiophen-2-ylphenyl)methanamine | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with N-methyl-1-(2-thiophen-2-ylphenyl)methanamine | PDB:3FUD | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .692 or .6922 or .6923 or :3692;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:35 or .A:36 or .A:37 or .A:159 or .A:160 or .A:161 or .A:180 or .A:182 or .A:188; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(2,2'-bithiophen-5-yl)methanamine | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with (5-thiophen-2-ylthiophen-2-yl)methylamine | PDB:3FU5 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .492 or .4922 or .4923 or :3492;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:299 or .A:311 or .A:314 or .A:318 or .A:374 or .A:375 or .A:378 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Amino-N-[4-(phenylmethoxy)phenyl]-acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of leukotriene a4 hydrolase in complex with 2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide | PDB:3CHO | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [6] |
| PDB Sequence |
PEIVDTCSLA
10 SPASVCRTKH20 LHLRCSVDFT30 RRTLTGTAAL40 TVQSQEDNLR50 SLVLDTKDLT 60 IEKVVINGQE70 VKYALGERQS80 YKGSPMEISL90 PIALSKNQEI100 VIEISFETSP 110 KSSALQWLTP120 EQTSGKEHPY130 LFSQCQAIHC140 RAILPCQDTP150 SVKLTYTAEV 160 SVPKELVALM170 SAIRDGETPD180 PEDPSRKIYK190 FIQKVPIPCY200 LIALVVGALE 210 SRQIGPRTLV220 WSEKEQVEKS230 AYEFSETESM240 LKIAEDLGGP250 YVWGQYDLLV 260 LPPSFPYGGM270 ENPCLTFVTP280 TLLAGDKSLS290 NVIAHEISHS300 WTGNLVTNKT 310 WDHFWLNEGH320 TVYLERHICG330 RLFGEKFRHF340 NALGGWGELQ350 NSVKTFGETH 360 PFTKLVVDLT370 DIDPDVAYSS380 VPYEKGFALL390 FYLEQLLGGP400 EIFLGFLKAY 410 VEKFSYKSIT420 TDDWKDFLYS430 YFKDKVDVLN440 QVDWNAWLYS450 PGLPPIKPNY 460 DMTLTNACIA470 LSQRWITAKE480 DDLNSFNATD490 LKDLSSHQLN500 EFLAQTLQRA 510 PLPLGHIKRM520 QEVYNFNAIN530 NSEIRFRWLR540 LCIQSKWEDA550 IPLALKMATE 560 QGRMKFTRPL570 FKDLAAFDKS580 HDQAVRTYQE590 HKASMHPVTA600 MLVGKDLKVD 610
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4BG or .4BG2 or .4BG3 or :34BG;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:311 or .A:314 or .A:318 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N5-[4-(Phenylmethoxy)phenyl]-L-glutamine | Ligand Info | |||||
| Structure Description | Crystal structure of leukotriene a4 hydrolase in complex with N5-[4-(phenylmethoxy)phenyl]-L-glutamine | PDB:3CHQ | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [6] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKV |
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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 .4BQ or .4BQ2 or .4BQ3 or :34BQ;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
4.264
GLN136
2.700
ALA137
3.650
TYR267
3.678
GLY269
2.941
MET270
3.721
GLU271
2.929
HIS295
3.497
GLU296
2.546
HIS299
3.664
TRP311
3.221
|
|||||
| Ligand Name: N1-[4-(Phenylmethoxy)phenyl]-L-aspartamine | Ligand Info | |||||
| Structure Description | Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | PDB:3CHP | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [6] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKVD |
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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 .4BO or .4BO2 or .4BO3 or :34BO;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.489
GLN136
2.826
ALA137
3.710
TYR267
2.880
GLY269
3.765
MET270
3.900
GLU271
2.839
HIS295
4.028
GLU296
4.388
HIS299
4.066
TRP311
3.195
|
|||||
| Ligand Name: 4-amino-N-[4-(benzyloxy)phenyl]butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of leukotriene A4 hydrolase in complex with 4-amino-N-[4-(phenylmethoxy)phenyl]-butanamide | PDB:3CHR | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [6] |
| PDB Sequence |
PEIVDTCSLA
10 SPASVCRTKH20 LHLRCSVDFT30 RRTLTGTAAL40 TVQSQEDNLR50 SLVLDTKDLT 60 IEKVVINGQE70 VKYALGERQS80 YKGSPMEISL90 PIALSKNQEI100 VIEISFETSP 110 KSSALQWLTP120 EQTSGKEHPY130 LFSQCQAIHC140 RAILPCQDTP150 SVKLTYTAEV 160 SVPKELVALM170 SAIRDGETPD180 PEDPSRKIYK190 FIQKVPIPCY200 LIALVVGALE 210 SRQIGPRTLV220 WSEKEQVEKS230 AYEFSETESM240 LKIAEDLGGP250 YVWGQYDLLV 260 LPPSFPYGGM270 ENPCLTFVTP280 TLLAGDKSLS290 NVIAHEISHS300 WTGNLVTNKT 310 WDHFWLNEGH320 TVYLERHICG330 RLFGEKFRHF340 NALGGWGELQ350 NSVKTFGETH 360 PFTKLVVDLT370 DIDPDVAYSS380 VPYEKGFALL390 FYLEQLLGGP400 EIFLGFLKAY 410 VEKFSYKSIT420 TDDWKDFLYS430 YFKDKVDVLN440 QVDWNAWLYS450 PGLPPIKPNY 460 DMTLTNACIA470 LSQRWITAKE480 DDLNSFNATD490 LKDLSSHQLN500 EFLAQTLQRA 510 PLPLGHIKRM520 QEVYNFNAIN530 NSEIRFRWLR540 LCIQSKWEDA550 IPLALKMATE 560 QGRMKFTRPL570 FKDLAAFDKS580 HDQAVRTYQE590 HKASMHPVTA600 MLVGKDLKVD 610
|
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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 .4BS or .4BS2 or .4BS3 or :34BS;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
4.087
GLN136
2.766
ALA137
3.743
TYR267
3.817
GLY269
3.333
MET270
3.755
GLU271
2.876
GLU296
4.977
HIS299
4.133
TRP311
2.999
PHE314
3.264
|
|||||
| Ligand Name: Kelatorphan | Ligand Info | |||||
| Structure Description | Leukotriene A4 Hydrolase Complexed with KELatorphan | PDB:3B7U | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [7] |
| PDB Sequence |
PEIVDTCSLA
10 SPASVCRTKH20 LHLRCSVDFT30 RRTLTGTAAL40 TVQSQEDNLR50 SLVLDTKDLT 60 IEKVVINGQE70 VKYALGERQS80 YKGSPMEISL90 PIALSKNQEI100 VIEISFETSP 110 KSSALQWLTP120 EQTSGKEHPY130 LFSQCQAIHC140 RAILPCQDTP150 SVKLTYTAEV 160 SVPKELVALM170 SAIRDGETPD180 PEDPSRKIYK190 FIQKVPIPCY200 LIALVVGALE 210 SRQIGPRTLV220 WSEKEQVEKS230 AYEFSETESM240 LKIAEDLGGP250 YVWGQYDLLV 260 LPPSFPYGGM270 ENPCLTFVTP280 TLLAGDKSLS290 NVIAHEISHS300 WTGNLVTNKT 310 WDHFWLNEGH320 TVYLERHICG330 RLFGEKFRHF340 NALGGWGELQ350 NSVKTFGETH 360 PFTKLVVDLT370 DIDPDVAYSS380 VPYEKGFALL390 FYLEQLLGGP400 EIFLGFLKAY 410 VEKFSYKSIT420 TDDWKDFLYS430 YFKDKVDVLN440 QVDWNAWLYS450 PGLPPIKPNY 460 DMTLTNACIA470 LSQRWITAKE480 DDLNSFNATD490 LKDLSSHQLN500 EFLAQTLQRA 510 PLPLGHIKRM520 QEVYNFNAIN530 NSEIRFRWLR540 LCIQSKWEDA550 IPLALKMATE 560 QGRMKFTRPL570 FKDLAAFDKS580 HDQAVRTYQE590 HKASMHPVTA600 MLVGKDLKVD 610
|
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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 .KEL or .KEL2 or .KEL3 or :3KEL;style chemicals stick;color identity;select .X:266 or .X:267 or .X:268 or .X:269 or .X:270 or .X:271 or .X:291 or .X:292 or .X:295 or .X:296 or .X:299 or .X:318 or .X:325 or .X:378 or .X:383 or .X:563 or .X:565; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: LTA4 | Ligand Info | |||||
| Structure Description | Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form I) | PDB:5NI2 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMAN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKV |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DJ3 or .DJ32 or .DJ33 or :3DJ3;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:139 or .A:265 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:292 or .A:295 or .A:296 or .A:299 or .A:308 or .A:311 or .A:314 or .A:318 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:381 or .A:382 or .A:383 or .A:563 or .A:565; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
2.550
GLN136
2.678
ALA137
2.569
HIS139
4.798
PHE265
4.983
TYR267
2.169
GLY268
2.309
GLY269
1.956
MET270
2.233
ALA271
3.898
VAL292
3.787
HIS295
3.034
GLU296
2.328
HIS299
3.457
ASN308
4.996
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone | PDB:3FUN | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .798 or .7982 or .7983 or :3798;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:311 or .A:314 or .A:315 or .A:362 or .A:363 or .A:364 or .A:365 or .A:366 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:381 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
2.794
GLN136
2.817
ALA137
3.671
TYR267
3.492
GLY269
3.213
MET270
3.441
GLU271
4.661
TRP311
3.285
PHE314
3.289
TRP315
4.770
PHE362
3.170
THR363
4.787
LYS364
2.860
|
|||||
| Ligand Name: 1-{4-Oxo-4-[(2s)-Pyrrolidin-2-Yl]butanoyl}-L-Proline | Ligand Info | |||||
| Structure Description | Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue and 4-(4-benzylphenyl)thiazol-2-amine | PDB:4MKT | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [8] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .28T or .28T2 or .28T3 or :328T;style chemicals stick;color identity;select .A:134 or .A:136 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:314 or .A:318 or .A:378 or .A:380 or .A:383 or .A:563 or .A:565; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(4-Benzylphenyl)-1,3-thiazol-2-amine | Ligand Info | |||||
| Structure Description | Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue and 4-(4-benzylphenyl)thiazol-2-amine | PDB:4MKT | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [8] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1V6 or .1V62 or .1V63 or :31V6;style chemicals stick;color identity;select .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:314 or .A:315 or .A:362 or .A:363 or .A:364 or .A:365 or .A:366 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:381 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN136
2.059
ALA137
3.794
TYR267
3.565
TRP311
3.169
ASP312
4.877
PHE314
3.150
TRP315
4.481
PHE362
2.338
THR363
4.167
LYS364
2.933
LEU365
2.833
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-[2-(4-Benzylphenoxy)ethyl]pyrrolidine | Ligand Info | |||||
| Structure Description | Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine. | PDB:3FH8 | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [5] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .27P or .27P2 or .27P3 or :327P;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:311 or .A:314 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-[{(2s)-2-Amino-3-[4-(Benzyloxy)phenyl]propyl}(Hydroxy)amino]-6-Oxohexanoic Acid) | Ligand Info | |||||
| Structure Description | Complex of human leukotriene A4 hydrolase with a hydroxamic acid inhibitor | PDB:2VJ8 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [9] |
| PDB Sequence |
PEIVDTCSLA
10 SPASVCRTKH20 LHLRCSVDFT30 RRTLTGTAAL40 TVQSQEDNLR50 SLVLDTKDLT 60 IEKVVINGQE70 VKYALGERQS80 YKGSPMEISL90 PIALSKNQEI100 VIEISFETSP 110 KSSALQWLTP120 EQTSGKEHPY130 LFSQCQAIHC140 RAILPCQDTP150 SVKLTYTAEV 160 SVPKELVALM170 SAIRDGETPD180 PEDPSRKIYK190 FIQKVPIPCY200 LIALVVGALE 210 SRQIGPRTLV220 WSEKEQVEKS230 AYEFSETESM240 LKIAEDLGGP250 YVWGQYDLLV 260 LPPSFPYGGM270 ENPCLTFVTP280 TLLAGDKSLS290 NVIAHEISHS300 WTGNLVTNKT 310 WDHFWLNEGH320 TVYLERHICG330 RLFGEKFRHF340 NALGGWGELQ350 NSVKTFGETH 360 PFTKLVVDLT370 DIDPDVAYSS380 VPYEKGFALL390 FYLEQLLGGP400 EIFLGFLKAY 410 VEKFSYKSIT420 TDDWKDFLYS430 YFKDKVDVLN440 QVDWNAWLYS450 PGLPPIKPNY 460 DMTLTNACIA470 LSQRWITAKE480 DDLNSFNATD490 LKDLSSHQLN500 EFLAQTLQRA 510 PLPLGHIKRM520 QEVYNFNAIN530 NSEIRFRWLR540 LCIQSKWEDA550 IPLALKMATE 560 QGRMKFTRPL570 FKDLAAFDKS580 HDQAVRTYQE590 HKASMHPVTA600 MLVGKDLKVD 610
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HA2 or .HA22 or .HA23 or :3HA2;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:292 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:383 or .A:563 or .A:565; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.589
GLN136
2.822
ALA137
3.409
PRO266
4.818
TYR267
3.283
GLY268
2.486
GLY269
3.168
MET270
3.764
GLU271
2.803
VAL292
4.793
HIS295
3.204
GLU296
2.522
|
|||||
| Ligand Name: 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid | PDB:3FUK | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .58Z or .58Z2 or .58Z3 or :358Z;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(Pyridin-3-ylmethoxy)aniline | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline | PDB:3FTZ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .848 or .8482 or .8483 or :3848;style chemicals stick;color identity;select .A:136 or .A:137 or .A:267 or .A:311 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol | PDB:3FUM | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [1] |
| PDB Sequence |
DTCSLASPAS
14 VCRTKHLHLR24 CSVDFTRRTL34 TGTAALTVQS44 QEDNLRSLVL54 DTKDLTIEKV 64 VINGQEVKYA74 LGERQSYKGS84 PMEISLPIAL94 SKNQEIVIEI104 SFETSPKSSA 114 LQWLTPEQTS124 GKEHPYLFSQ134 CQAIHCRAIL144 PCQDTPSVKL154 TYTAEVSVPK 164 ELVALMSAIR174 DGETPDPEDP184 SRKIYKFIQK194 VPIPCYLIAL204 VVGALESRQI 214 GPRTLVWSEK224 EQVEKSAYEF234 SETESMLKIA244 EDLGGPYVWG254 QYDLLVLPPS 264 FPYGGMENPC274 LTFVTPTLLA284 GDKSLSNVIA294 HEISHSWTGN304 LVTNKTWDHF 314 WLNEGHTVYL324 ERHICGRLFG334 EKFRHFNALG344 GWGELQNSVK354 TFGETHPFTK 364 LVVDLTDIDP374 DVAYSSVPYE384 KGFALLFYLE394 QLLGGPEIFL404 GFLKAYVEKF 414 SYKSITTDDW424 KDFLYSYFKD434 KVDVLNQVDW444 NAWLYSPGLP454 PIKPNYDMTL 464 TNACIALSQR474 WITAKEDDLN484 SFNATDLKDL494 SSHQLNEFLA504 QTLQRAPLPL 514 GHIKRMQEVY524 NFNAINNSEI534 RFRWLRLCIQ544 SKWEDAIPLA554 LKMATEQGRM 564 KFTRPLFKDL574 AAFDKSHDQA584 VRTYQEHKAS594 MHPVTAMLVG604 KDLKV |
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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 .80A or .80A2 or .80A3 or :380A;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:314 or .A:362 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.645
GLN136
2.972
ALA137
3.684
TYR267
3.078
GLY269
3.040
MET270
3.308
GLU271
4.626
TRP311
2.798
ASP312
4.835
PHE314
3.311
PHE362
4.925
|
|||||
| Ligand Name: 5-Chloroindole | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin | PDB:3FUE | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .11S or .11S2 or .11S3 or :311S;style chemicals stick;color identity;select .A:137 or .A:311 or .A:312 or .A:314 or .A:362 or .A:364 or .A:365 or .A:367 or .A:369 or .A:374 or .A:377 or .A:378 or .A:379 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone | PDB:3FUL | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [5] |
| PDB Sequence |
DTCSLASPAS
14 VCRTKHLHLR24 CSVDFTRRTL34 TGTAALTVQS44 QEDNLRSLVL54 DTKDLTIEKV 64 VINGQEVKYA74 LGERQSYKGS84 PMEISLPIAL94 SKNQEIVIEI104 SFETSPKSSA 114 LQWLTPEQTS124 GKEHPYLFSQ134 CQAIHCRAIL144 PCQDTPSVKL154 TYTAEVSVPK 164 ELVALMSAIR174 DGETPDPEDP184 SRKIYKFIQK194 VPIPCYLIAL204 VVGALESRQI 214 GPRTLVWSEK224 EQVEKSAYEF234 SETESMLKIA244 EDLGGPYVWG254 QYDLLVLPPS 264 FPYGGMENPC274 LTFVTPTLLA284 GDKSLSNVIA294 HEISHSWTGN304 LVTNKTWDHF 314 WLNEGHTVYL324 ERHICGRLFG334 EKFRHFNALG344 GWGELQNSVK354 TFGETHPFTK 364 LVVDLTDIDP374 DVAYSSVPYE384 KGFALLFYLE394 QLLGGPEIFL404 GFLKAYVEKF 414 SYKSITTDDW424 KDFLYSYFKD434 KVDVLNQVDW444 NAWLYSPGLP454 PIKPNYDMTL 464 TNACIALSQR474 WITAKEDDLN484 SFNATDLKDL494 SSHQLNEFLA504 QTLQRAPLPL 514 GHIKRMQEVY524 NFNAINNSEI534 RFRWLRLCIQ544 SKWEDAIPLA554 LKMATEQGRM 564 KFTRPLFKDL574 AAFDKSHDQA584 VRTYQEHKAS594 MHPVTAMLVG604 KDLKV |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .52D or .52D2 or .52D3 or :352D;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:311 or .A:312 or .A:314 or .A:362 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.433
GLN136
2.964
ALA137
3.636
TYR267
3.108
GLY269
3.016
MET270
3.261
GLU271
4.814
TRP311
3.000
ASP312
4.933
PHE314
3.348
PHE362
4.967
|
|||||
| Ligand Name: 5-Fluoroindole | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase in complex with fragment 5-fluoroindole and bestatin | PDB:3FUF | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .14O or .14O2 or .14O3 or :314O;style chemicals stick;color identity;select .A:137 or .A:311 or .A:312 or .A:314 or .A:362 or .A:364 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Benzyl-4-methoxybenzene | Ligand Info | |||||
| Structure Description | Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | PDB:7LLQ | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [10] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N0Y or .N0Y2 or .N0Y3 or :3N0Y;style chemicals stick;color identity;select .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of leukotriene A4 hydrolase in complex with (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid | PDB:3CHS | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [6] |
| PDB Sequence |
PEIVDTCSLA
10 SPASVCRTKH20 LHLRCSVDFT30 RRTLTGTAAL40 TVQSQEDNLR50 SLVLDTKDLT 60 IEKVVINGQE70 VKYALGERQS80 YKGSPMEISL90 PIALSKNQEI100 VIEISFETSP 110 KSSALQWLTP120 EQTSGKEHPY130 LFSQCQAIHC140 RAILPCQDTP150 SVKLTYTAEV 160 SVPKELVALM170 SAIRDGETPD180 PEDPSRKIYK190 FIQKVPIPCY200 LIALVVGALE 210 SRQIGPRTLV220 WSEKEQVEKS230 AYEFSETESM240 LKIAEDLGGP250 YVWGQYDLLV 260 LPPSFPYGGM270 ENPCLTFVTP280 TLLAGDKSLS290 NVIAHEISHS300 WTGNLVTNKT 310 WDHFWLNEGH320 TVYLERHICG330 RLFGEKFRHF340 NALGGWGELQ350 NSVKTFGETH 360 PFTKLVVDLT370 DIDPDVAYSS380 VPYEKGFALL390 FYLEQLLGGP400 EIFLGFLKAY 410 VEKFSYKSIT420 TDDWKDFLYS430 YFKDKVDVLN440 QVDWNAWLYS450 PGLPPIKPNY 460 DMTLTNACIA470 LSQRWITAKE480 DDLNSFNATD490 LKDLSSHQLN500 EFLAQTLQRA 510 PLPLGHIKRM520 QEVYNFNAIN530 NSEIRFRWLR540 LCIQSKWEDA550 IPLALKMATE 560 QGRMKFTRPL570 FKDLAAFDKS580 HDQAVRTYQE590 HKASMHPVTA600 MLVGKDLKVD 610
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4BU or .4BU2 or .4BU3 or :34BU;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:312 or .A:314 or .A:315 or .A:318 or .A:362 or .A:364 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
4.727
GLN136
2.695
ALA137
3.964
TYR267
3.578
GLY269
2.945
MET270
3.986
GLU271
2.833
HIS295
3.135
GLU296
2.577
HIS299
3.505
TRP311
3.036
ASP312
4.078
PHE314
3.255
TRP315
4.850
|
|||||
| Ligand Name: 2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine | Ligand Info | |||||
| Structure Description | LTA4 hydrolase in complex with fragment2 | PDB:7AV1 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [11] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZK or .RZK2 or .RZK3 or :3RZK;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:369 or .A:374 or .A:375 or .A:378 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid | Ligand Info | |||||
| Structure Description | LTA4 hydrolase in complex with compound R(13) | PDB:7AV0 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [11] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZB or .RZB2 or .RZB3 or :3RZB;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.045
GLN136
2.659
ALA137
3.812
TYR267
3.347
GLY269
3.083
MET270
3.666
GLU271
2.614
HIS295
2.702
GLU296
2.582
HIS299
3.948
TRP311
3.209
|
|||||
| Ligand Name: betaS-amino-5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-2H-tetrazole-2-butanoic acid | Ligand Info | |||||
| Structure Description | LTA4 hydrolase in complex with compound LYS006 | PDB:7AUZ | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [11] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZE or .RZE2 or .RZE3 or :3RZE;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
2.845
GLN136
2.779
ALA137
3.941
TYR267
3.268
GLY269
2.835
MET270
3.755
GLU271
2.719
HIS295
3.124
GLU296
2.495
HIS299
3.183
TRP311
3.049
PHE314
3.398
|
|||||
| Ligand Name: (4-Phenoxyphenyl)methanol | Ligand Info | |||||
| Structure Description | LTA4 hydrolase in complex with fragment1 | PDB:7AV2 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [11] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZN or .RZN2 or .RZN3 or :3RZN;style chemicals stick;color identity;select .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:314 or .A:315 or .A:364 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(4-(Benzothiazol-2-yloxy)benzyl)piperidine-4-carboxylic acid | Ligand Info | |||||
| Structure Description | LTA4 hydrolase in complex with Compound11 | PDB:6ENC | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [12] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKVD |
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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 .BGW or .BGW2 or .BGW3 or :3BGW;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:312 or .A:314 or .A:318 or .A:365 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.972
GLN136
3.244
ALA137
3.906
TYR267
3.370
GLY269
3.027
MET270
3.396
GLU271
3.642
HIS295
3.593
GLU296
2.965
HIS299
3.918
TRP311
3.241
ASP312
4.828
|
|||||
| Ligand Name: 4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde | Ligand Info | |||||
| Structure Description | LTA4 hydrolase in complex with Compound15 | PDB:6END | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [12] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .BGK or .BGK2 or .BGK3 or :3BGK;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:270 or .A:311 or .A:314 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-[3-(4-Benzylphenoxy)propyl]-N-Methyl-Beta-Alanine | Ligand Info | |||||
| Structure Description | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A | PDB:3U9W | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [13] |
| PDB Sequence |
IVDTCSLASP
1012 ASVCRTKHLH1022 LRCSVDFTRR1032 TLTGTAALTV1042 QSQEDNLRSL1052 VLDTKDLTIE 1062 KVVINGQEVK1072 YALGERQSYK1082 GSPMEISLPI1092 ALSKNQEIVI1102 EISFETSPKS 1112 SALQWLTPEQ1122 TSGKEHPYLF1132 SQCQAIHCRA1142 ILPCQDTPSV1152 KLTYTAEVSV 1162 PKELVALMSA1172 IRDGETPDPE1182 DPSRKIYKFI1192 QKVPIPCYLI1202 ALVVGALESR 1212 QIGPRTLVWS1222 EKEQVEKSAY1232 EFSETESMLK1242 IAEDLGGPYV1252 WGQYDLLVLP 1262 PSFPYGGMEN1272 PCLTFVTPTL1282 LAGDKSLSNV1292 IAHEISHSWT1302 GNLVTNKTWD 1312 HFWLNEGHTV1322 YLERHICGRL1332 FGEKFRHFNA1342 LGGWGELQNS1352 VKTFGETHPF 1362 TKLVVDLTDI1372 DPDVAYSSVP1382 YEKGFALLFY1392 LEQLLGGPEI1402 FLGFLKAYVE 1412 KFSYKSITTD1422 DWKDFLYSYF1432 KDKVDVLNQV1442 DWNAWLYSPG1452 LPPIKPNYDM 1462 TLTNACIALS1472 QRWITAKEDD1482 LNSFNATDLK1492 DLSSHQLNEF1502 LAQTLQRAPL 1512 PLGHIKRMQE1522 VYNFNAINNS1532 EIRFRWLRLC1542 IQSKWEDAIP1552 LALKMATEQG 1562 RMKFTRPLFK1572 DLAAFDKSHD1582 QAVRTYQEHK1592 ASMHPVTAML1602 VGKDLKVD |
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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 .28P or .28P2 or .28P3 or :328P;style chemicals stick;color identity;select .A:1134 or .A:1136 or .A:1137 or .A:1267 or .A:1269 or .A:1270 or .A:1271 or .A:1295 or .A:1296 or .A:1299 or .A:1311 or .A:1312 or .A:1314 or .A:1318 or .A:1367 or .A:1369 or .A:1374 or .A:1375 or .A:1377 or .A:1378 or .A:1379 or .A:1382 or .A:1383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN1134
3.951
GLN1136
2.769
ALA1137
3.803
TYR1267
3.374
GLY1269
3.294
MET1270
3.591
GLU1271
3.044
HIS1295
3.131
GLU1296
2.697
HIS1299
3.115
TRP1311
3.307
ASP1312
4.993
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N,N-Dimethyl-2-(4-Phenoxyphenoxy)ethanamine | Ligand Info | |||||
| Structure Description | Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine | PDB:5AEN | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [14] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKVD |
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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 .DP8 or .DP82 or .DP83 or :3DP8;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:311 or .A:314 or .A:362 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{4-[(4-Methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine | Ligand Info | |||||
| Structure Description | The effect of modifier structure on the activation of leukotriene A4 hydrolase aminopeptidase activity. | PDB:6O5H | ||||
| Method | X-ray diffraction | Resolution | 2.84 Å | Mutation | No | [15] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .LNJ or .LNJ2 or .LNJ3 or :3LNJ;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:311 or .A:312 or .A:314 or .A:315 or .A:362 or .A:363 or .A:364 or .A:365 or .A:366 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:381 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.666
GLN136
3.205
ALA137
3.171
TYR267
3.491
TRP311
2.845
ASP312
4.559
PHE314
3.209
TRP315
4.652
PHE362
2.255
THR363
4.151
LYS364
3.334
|
|||||
| Ligand Name: N-[3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine | Ligand Info | |||||
| Structure Description | Leukotriene A4 Hydrolase Complexed with Inhibitor RB3040 | PDB:3B7R | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [7] |
| PDB Sequence |
PEIVDTCSLA
10 SPASVCRTKH20 LHLRCSVDFT30 RRTLTGTAAL40 TVQSQEDNLR50 SLVLDTKDLT 60 IEKVVINGQE70 VKYALGERQS80 YKGSPMEISL90 PIALSKNQEI100 VIEISFETSP 110 KSSALQWLTP120 EQTSGKEHPY130 LFSQCQAIHC140 RAILPCQDTP150 SVKLTYTAEV 160 SVPKELVALM170 SAIRDGETPD180 PEDPSRKIYK190 FIQKVPIPCY200 LIALVVGALE 210 SRQIGPRTLV220 WSEKEQVEKS230 AYEFSETESM240 LKIAEDLGGP250 YVWGQYDLLV 260 LPPSFPYGGM270 ENPCLTFVTP280 TLLAGDKSLS290 NVIAHEISHS300 WTGNLVTNKT 310 WDHFWLNEGH320 TVYLERHICG330 RLFGEKFRHF340 NALGGWGELQ350 NSVKTFGETH 360 PFTKLVVDLT370 DIDPDVAYSS380 VPYEKGFALL390 FYLEQLLGGP400 EIFLGFLKAY 410 VEKFSYKSIT420 TDDWKDFLYS430 YFKDKVDVLN440 QVDWNAWLYS450 PGLPPIKPNY 460 DMTLTNACIA470 LSQRWITAKE480 DDLNSFNATD490 LKDLSSHQLN500 EFLAQTLQRA 510 PLPLGHIKRM520 QEVYNFNAIN530 NSEIRFRWLR540 LCIQSKWEDA550 IPLALKMATE 560 QGRMKFTRPL570 FKDLAAFDKS580 HDQAVRTYQE590 HKASMHPVTA600 MLVGKDLKVD 610
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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 .BIR or .BIR2 or .BIR3 or :3BIR;style chemicals stick;color identity;select .L:136 or .L:266 or .L:267 or .L:268 or .L:269 or .L:270 or .L:271 or .L:291 or .L:292 or .L:295 or .L:296 or .L:299 or .L:314 or .L:318 or .L:325 or .L:326 or .L:378 or .L:383 or .L:533 or .L:563 or .L:565; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN136
2.835
PRO266
4.650
TYR267
3.605
GLY268
2.721
GLY269
3.247
MET270
3.769
GLU271
2.658
ASN291
3.472
VAL292
3.623
HIS295
3.335
GLU296
2.506
|
|||||
| Ligand Name: N-{(2r)-3-[(S)-[(1r)-1-Amino-2-Phenylethyl](Hydroxy)phosphoryl]-2-Benzylpropanoyl}-L-Phenylalanine | Ligand Info | |||||
| Structure Description | Leukotriene A4 hydrolase complexed with inhibitor RB3041 | PDB:2R59 | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [7] |
| PDB Sequence |
PEIVDTCSLA
10 SPASVCRTKH20 LHLRCSVDFT30 RRTLTGTAAL40 TVQSQEDNLR50 SLVLDTKDLT 60 IEKVVINGQE70 VKYALGERQS80 YKGSPMEISL90 PIALSKNQEI100 VIEISFETSP 110 KSSALQWLTP120 EQTSGKEHPY130 LFSQCQAIHC140 RAILPCQDTP150 SVKLTYTAEV 160 SVPKELVALM170 SAIRDGETPD180 PEDPSRKIYK190 FIQKVPIPCY200 LIALVVGALE 210 SRQIGPRTLV220 WSEKEQVEKS230 AYEFSETESM240 LKIAEDLGGP250 YVWGQYDLLV 260 LPPSFPYGGM270 ENPCLTFVTP280 TLLAGDKSLS290 NVIAHEISHS300 WTGNLVTNKT 310 WDHFWLNEGH320 TVYLERHICG330 RLFGEKFRHF340 NALGGWGELQ350 NSVKTFGETH 360 PFTKLVVDLT370 DIDPDVAYSS380 VPYEKGFALL390 FYLEQLLGGP400 EIFLGFLKAY 410 VEKFSYKSIT420 TDDWKDFLYS430 YFKDKVDVLN440 QVDWNAWLYS450 PGLPPIKPNY 460 DMTLTNACIA470 LSQRWITAKE480 DDLNSFNATD490 LKDLSSHQLN500 EFLAQTLQRA 510 PLPLGHIKRM520 QEVYNFNAIN530 NSEIRFRWLR540 LCIQSKWEDA550 IPLALKMATE 560 QGRMKFTRPL570 FKDLAAFDKS580 HDQAVRTYQE590 HKASMHPVTA600 MLVGKDLKVD 610
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PH0 or .PH02 or .PH03 or :3PH0;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:291 or .A:292 or .A:295 or .A:296 or .A:299 or .A:314 or .A:318 or .A:322 or .A:325 or .A:375 or .A:378 or .A:379 or .A:380 or .A:383 or .A:563 or .A:565; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.614
GLN136
2.907
ALA137
3.530
PRO266
4.882
TYR267
3.221
GLY268
2.753
GLY269
3.236
MET270
4.022
GLU271
2.659
ASN291
3.559
VAL292
3.982
HIS295
3.161
GLU296
2.427
|
|||||
| Ligand Name: Batatasin IV | Ligand Info | |||||
| Structure Description | Crystal structure of LTA4H bound to a selective inhibitor against LTB4 generation | PDB:5N3W | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKV |
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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 .8KW or .8KW2 or .8KW3 or :38KW;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:139 or .A:267 or .A:311 or .A:312 or .A:314 or .A:315 or .A:365 or .A:367 or .A:369 or .A:373 or .A:374 or .A:375 or .A:377 or .A:378 or .A:379 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(Dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structures of the Human leukotriene A4 Hydrolase complex with a potential inhibitor H7 | PDB:4RSY | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [17] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
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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 .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:134 or .A:136 or .A:137 or .A:267 or .A:269 or .A:270 or .A:271 or .A:295 or .A:296 or .A:299 or .A:311 or .A:314 or .A:318 or .A:362 or .A:367 or .A:369 or .A:374 or .A:375 or .A:377 or .A:378 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN134
3.918
GLN136
3.003
ALA137
3.266
TYR267
3.749
GLY269
2.948
MET270
4.036
GLU271
3.021
HIS295
2.910
GLU296
2.658
HIS299
2.889
TRP311
3.339
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J Med Chem. 2009 Aug 13;52(15):4694-715. | ||||
| REF 2 | Capturing LTA(4) hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB(4) synthesis. Proc Natl Acad Sci U S A. 2017 Sep 5;114(36):9689-9694. | ||||
| REF 3 | Human Leukotriene A4 Hydrolase in complex with SAHA | ||||
| REF 4 | Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H. Sci Rep. 2016 Apr 29;6:25298. | ||||
| REF 5 | Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of ... J Med Chem. 2010 Jan 28;53(2):573-85. | ||||
| REF 6 | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase. Bioorg Med Chem. 2008 May 1;16(9):4963-83. | ||||
| REF 7 | Structure-based dissection of the active site chemistry of leukotriene A4 hydrolase: implications for M1 aminopeptidases and inhibitor design. Chem Biol. 2008 Sep 22;15(9):920-9. | ||||
| REF 8 | Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. Proc Natl Acad Sci U S A. 2014 Mar 18;111(11):4227-32. | ||||
| REF 9 | Crystal structures of leukotriene A4 hydrolase in complex with captopril and two competitive tight-binding inhibitors. FASEB J. 2002 Oct;16(12):1648-50. | ||||
| REF 10 | Substrate-dependent modulation of the leukotriene A(4) hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation. Sci Rep. 2022 Jun 8;12(1):9443. | ||||
| REF 11 | Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A(4) Hydrolase. J Med Chem. 2021 Feb 25;64(4):1889-1903. | ||||
| REF 12 | Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors. Sci Rep. 2017 Oct 19;7(1):13591. | ||||
| REF 13 | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A | ||||
| REF 14 | PENG: a neural gas-based approach for pharmacophore elucidation. method design, validation, and virtual screening for novel ligands of LTA4H. J Chem Inf Model. 2015 Feb 23;55(2):284-93. | ||||
| REF 15 | Effect of Modifier Structure on the Activation of Leukotriene A(4) Hydrolase Aminopeptidase Activity. J Med Chem. 2019 Dec 12;62(23):10605-10616. | ||||
| REF 16 | The development of novel LTA(4)H modulators to selectively target LTB(4) generation. Sci Rep. 2017 Mar 17;7:44449. | ||||
| REF 17 | Structure of Human Leukotriene A4 Hydrolase in complex with inhibitor H1 | ||||
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