Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T95842 | Target Info | |||
| Target Name | Monocarboxylate transporter 1 (SLC16A1) | ||||
| Synonyms | Solute carrier family 16 member 1; MCT1; MCT 1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | SLC16A1 | ||||
| Biochemical Class | Major facilitator | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: L-lactic acid | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate | PDB:6LZ0 | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
GGWGWAVVIG
25 AFISIGFSYA35 FPKSITVFFK45 EIEGIFHATT55 SEVSWISSIM65 LAVMYGGGPI 75 SSILVNKYGS85 RIVMIVGGCL95 SGCGLIAASF105 CNTVQQLYVC115 IGVIGGLGLA 125 FNLNPALTMI135 GKYFYKRRPL145 ANGLAMAGSP155 VFLCTLAPLN165 QVFFGIFGWR 175 GSFLILGGLL185 LNCCVAGALM195 RPIGPHRGFL264 LYLSGNVIMF274 FGLFAPLVFL 284 SSYGKSQHYS294 SEKSAFLLSI304 LAFVDMVARP314 SMGLVANTKP324 IRPRIQYFFA 334 ASVVANGVCH344 MLAPLSTTYV354 GFCVYAGFFG364 FAFGWLSSVL374 FETLMDLVGP 384 QRFSSAVGLV394 TIVECCPVLL404 GPPLLGRLND414 MYGDYKYTYW424 ACGVVLIISG 434 IYLFIGMGIN444 YRLLA
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| Ligand Name: 7-(Benzyl(methyl)amino)-2-oxo-2H-chromene-3-carboxylic acid | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate 7ACC2 in the inward-open conformation | PDB:7CKO | ||||
| Method | Electron microscopy | Resolution | 2.95 Å | Mutation | No | [1] |
| PDB Sequence |
GGWGWAVVIG
25 AFISIGFSYA35 FPKSITVFFK45 EIEGIFHATT55 SEVSWISSIM65 LAVMYGGGPI 75 SSILVNKYGS85 RIVMIVGGCL95 SGCGLIAASF105 CNTVQQLYVC115 IGVIGGLGLA 125 FNLNPALTMI135 GKYFYKRRPL145 ANGLAMAGSP155 VFLCTLAPLN165 QVFFGIFGWR 175 GSFLILGGLL185 LNCCVAGALM195 RPIGPHRGFL264 LYLSGNVIMF274 FGLFAPLVFL 284 SSYGKSQHYS294 SEKSAFLLSI304 LAFVDMVARP314 SMGLVANTKP324 IRPRIQYFFA 334 ASVVANGVCH344 MLAPLSTTYV354 GFCVYAGFFG364 FAFGWLSSVL374 FETLMDLVGP 384 QRFSSAVGLV394 TIVECCPVLL404 GPPLLGRLND414 MYGDYKYTYW424 ACGVVLIISG 434 IYLFIGMGIN444 YRLLA
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| Ligand Name: 2-[[5-(Benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate BAY-8002 in the outward-open conformation. | PDB:7CKR | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
GGWGWAVVIG
25 AFISIGFSYA35 FPKSITVFFK45 EIEGIFHATT55 SEVSWISSIM65 LAVMYGGGPI 75 SSILVNKYGS85 RIVMIVGGCL95 SGCGLIAASF105 CNTVQQLYVC115 IGVIGGLGLA 125 FNLNPALTMI135 GKYFYKRRPL145 ANGLAMAGSP155 VFLCTLAPLN165 QVFFGIFGWR 175 GSFLILGGLL185 LNCCVAGALM195 RPIGPLDLTL257 FTHRGFLLYL267 SGNVIMFFGL 277 FAPLVFLSSY287 GKSQHYSSEK297 SAFLLSILAF307 VDMVARPSMG317 LVANTKPIRP 327 RIQYFFAASV337 VANGVCHMLA347 PLSTTYVGFC357 VYAGFFGFAF367 GWLSSVLFET 377 LMDLVGPQRF387 SSAVGLVTIV397 ECCPVLLGPP407 LLGRLNDMYG417 DYKYTYWACG 427 VVLIISGIYL437 FIGMGINYRL447 LA
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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 .G5O or .G5O2 or .G5O3 or :3G5O;style chemicals stick;color identity;select .A:33 or .A:34 or .A:37 or .A:38 or .A:66 or .A:69 or .A:70 or .A:151 or .A:154 or .A:155 or .A:274 or .A:278 or .A:281 or .A:282 or .A:313 or .A:367 or .A:371 or .A:374 or .A:402 or .A:403 or .A:406; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER33
4.212
TYR34
2.979
PRO37
3.821
LYS38
2.404
LEU66
4.007
MET69
4.223
TYR70
2.917
MET151
3.766
SER154
2.334
PRO155
4.936
PHE274
4.383
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| Ligand Name: 5-[[(4R)-4-Hydroxy-4-methyl-2-isoxazolidinyl]carbonyl]-3-methyl-1-(1-methylethyl)-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate AZD3965 in the outward-open conformation. | PDB:6LYY | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | No | [1] |
| PDB Sequence |
PDGGWGWAVV
23 IGAFISIGFS33 YAFPKSITVF43 FKEIEGIFHA53 TTSEVSWISS63 IMLAVMYGGG 73 PISSILVNKY83 GSRIVMIVGG93 CLSGCGLIAA103 SFCNTVQQLY113 VCIGVIGGLG 123 LAFNLNPALT133 MIGKYFYKRR143 PLANGLAMAG153 SPVFLCTLAP163 LNQVFFGIFG 173 WRGSFLILGG183 LLLNCCVAGA193 LMRPIGPLTL257 FTHRGFLLYL267 SGNVIMFFGL 277 FAPLVFLSSY287 GKSQHYSSEK297 SAFLLSILAF307 VDMVARPSMG317 LVANTKPIRP 327 RIQYFFAASV337 VANGVCHMLA347 PLSTTYVGFC357 VYAGFFGFAF367 GWLSSVLFET 377 LMDLVGPQRF387 SSAVGLVTIV397 ECCPVLLGPP407 LLGRLNDMYG417 DYKYTYWACG 427 VVLIISGIYL437 FIGMGINYRL447 LA
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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 .EY0 or .EY02 or .EY03 or :3EY0;style chemicals stick;color identity;select .A:34 or .A:35 or .A:37 or .A:38 or .A:62 or .A:66 or .A:70 or .A:151 or .A:154 or .A:155 or .A:158 or .A:274 or .A:277 or .A:278 or .A:281 or .A:282 or .A:305 or .A:306 or .A:309 or .A:313 or .A:367 or .A:371 or .A:374 or .A:375 or .A:398; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR34
2.929
ALA35
4.619
PRO37
4.551
LYS38
3.293
SER62
4.795
LEU66
3.476
TYR70
3.215
MET151
3.264
SER154
3.196
PRO155
3.641
LEU158
2.850
PHE274
3.868
LEU277
3.767
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell. 2021 Jan 21;184(2):370-383.e13. | ||||
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