Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T65570 | Target Info | |||
| Target Name | Alcohol dehydrogenase 1A (ADH1A) | ||||
| Synonyms | Alcohol dehydrogenase subunit alpha; ADH1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | ADH1A | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Nicotinamide-Adenine-Dinucleotide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution | PDB:1U3T | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [1] |
| PDB Sequence |
STAGKVIKCK
10 AAVLWELKKP20 FSIEEVEVAP30 PKAHEVRIKM40 VAVGICGTDD50 HVVSGTMVTP 60 LPVILGHEAA70 GIVESVGEGV80 TTVKPGDKVI90 PLAIPQCGKC100 RICKNPESNY 110 CLKNDVSNPQ120 GTLQDGTSRF130 TCRRKPIHHF140 LGISTFSQYT150 VVDENAVAKI 160 DAASPLEKVC170 LIGCGFSTGY180 GSAVNVAKVT190 PGSTCAVFGL200 GGVGLSAIMG 210 CKAAGAARII220 AVDINKDKFA230 KAKELGATEC240 INPQDYKKPI250 QEVLKEMTDG 260 GVDFSFEVIG270 RLDTMMASLL280 CCHEACGTSV290 IVGVPPDSQN300 LSMNPMLLLT 310 GRTWKGAILG320 GFKSKECVPK330 LVADFMAKKF340 SLDALITHVL350 PFEKINEGFD 360 LLHSGKSIRT370 ILMF
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CYS46
3.761
GLY47
3.036
THR48
2.633
HIS51
3.077
CYS174
3.391
THR178
3.239
GLY199
3.516
LEU200
3.257
GLY201
3.415
GLY202
3.268
VAL203
3.195
GLY204
4.101
VAL222
4.219
ASP223
2.624
ILE224
3.510
ASN225
3.945
LYS228
3.110
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Iodopyrazole | Ligand Info | |||||
| Structure Description | HUMAN ALPHA ALCOHOL DEHYDROGENASE (ADH1A) | PDB:1HSO | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
STAGKVIKCK
10 AAVLWELKKP20 FSIEEVEVAP30 PKAHEVRIKM40 VAVGICGTDD50 HVVSGTMVTP 60 LPVILGHEAA70 GIVESVGEGV80 TTVKPGDKVI90 PLAIPQCGKC100 RICKNPESNY 110 CLKNDVSNPQ120 GTLQDGTSRF130 TCRRKPIHHF140 LGISTFSQYT150 VVDENAVAKI 160 DAASPLEKVC170 LIGCGFSTGY180 GSAVNVAKVT190 PGSTCAVFGL200 GGVGLSAIMG 210 CKAAGAARII220 AVDINKDKFA230 KAKELGATEC240 INPQDYKKPI250 QEVLKEMTDG 260 GVDFSFEVIG270 RLDTMMASLL280 CCHEACGTSV290 IVGVPPDSQN300 LSMNPMLLLT 310 GRTWKGAILG320 GFKSKECVPK330 LVADFMAKKF340 SLDALITHVL350 PFEKINEGFD 360 LLHSGKSIRT370 ILMF
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| Ligand Name: N-Cyclopentyl-N-cyclobutylformamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution | PDB:1U3T | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [1] |
| PDB Sequence |
STAGKVIKCK
10 AAVLWELKKP20 FSIEEVEVAP30 PKAHEVRIKM40 VAVGICGTDD50 HVVSGTMVTP 60 LPVILGHEAA70 GIVESVGEGV80 TTVKPGDKVI90 PLAIPQCGKC100 RICKNPESNY 110 CLKNDVSNPQ120 GTLQDGTSRF130 TCRRKPIHHF140 LGISTFSQYT150 VVDENAVAKI 160 DAASPLEKVC170 LIGCGFSTGY180 GSAVNVAKVT190 PGSTCAVFGL200 GGVGLSAIMG 210 CKAAGAARII220 AVDINKDKFA230 KAKELGATEC240 INPQDYKKPI250 QEVLKEMTDG 260 GVDFSFEVIG270 RLDTMMASLL280 CCHEACGTSV290 IVGVPPDSQN300 LSMNPMLLLT 310 GRTWKGAILG320 GFKSKECVPK330 LVADFMAKKF340 SLDALITHVL350 PFEKINEGFD 360 LLHSGKSIRT370 ILMF
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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 .CCB or .CCB2 or .CCB3 or :3CCB;style chemicals stick;color identity;select .A:46 or .A:48 or .A:57 or .A:67 or .A:93 or .A:94 or .A:116 or .A:141 or .A:174 or .A:178 or .A:294 or .A:318 or .A:319; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of three class I human alcohol dehydrogenases complexed with isoenzyme specific formamide inhibitors. Biochemistry. 2004 Oct 5;43(39):12555-62. | ||||
| REF 2 | Three-dimensional structures of the three human class I alcohol dehydrogenases. Protein Sci. 2001 Apr;10(4):697-706. | ||||
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