Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T75498 | Target Info | |||
| Target Name | Quinone reductase 2 (NQO2) | ||||
| Synonyms | Quinone oxidoreductase 2; Qui reductase 2; QR2; NRH:quinone oxidoreductase 2; NRH:qui oxidoreductase 2; NQO2; NAD(P)H qui oxidoreductase 2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | NQO2 | ||||
| Biochemical Class | Diphenol donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Resveratrol | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O | ||||
| InChI | 1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ | ||||
| InChIKey | LUKBXSAWLPMMSZ-OWOJBTEDSA-N | ||||
| PubChem Compound ID | 445154 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4QOH Crystal structure of fad quinone reductase 2 in complex with resveratrol at 1.6A | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFGQ
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| PDB ID: 4QOJ CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [2] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFGQ
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| PDB ID: 1SG0 Crystal structure analysis of QR2 in complex with resveratrol | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [3] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of fad quinone reductase 2 in complex | ||||
| REF 2 | CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A | ||||
| REF 3 | Crystal structure of quinone reductase 2 in complex with resveratrol. Biochemistry. 2004 Sep 14;43(36):11417-26. | ||||
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