Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T34239 | Target Info | |||
| Target Name | Protoporphyrinogen oxidase (PPOX) | ||||
| Synonyms | PPO | ||||
| Target Type | Successful Target | ||||
| Gene Name | PPOX | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Acifluorfen | Ligand Info | |||
| Canonical SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O | ||||
| InChI | 1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21) | ||||
| InChIKey | NUFNQYOELLVIPL-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 44073 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3NKS Structure of human protoporphyrinogen IX oxidase | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
GRTVVVLGGG
11 ISGLAASYHL21 SRAPCPPKVV31 LVESSERLGG41 WIRSVRGPNG51 AIFELGPRGI 61 RPAGALGART71 LLLVSELGLD81 SEVLPVRGDH91 PAAQNRFLYV101 GGALHALPTG 111 LRGPSPPFSK124 PLFWAGLREL134 TKPRGKEPDE144 TVHSFAQRRL154 GPEVASLAMD 164 SLCRGVFAGN174 SRELSIRSCF184 PSLFQAEQTH194 RSILLGLLLG204 QPDSALIRQA 219 LAERWSQWSL229 RGGLEMLPQA239 LETHLTSRGV249 SVLRGQPVCG259 LSLQAEGRWK 269 VSLRDSSLEA279 DHVISAIPAS289 VLSELLPAEA299 APLARALSAI309 TAVSVAVVNL 319 QYQGAHLPVQ329 GFGHLVPSSE339 DPGVLGIVYD349 SVAFPEQDGS359 PPGLRVTVML 369 GGSWLQTLEA379 SGCVLSQELF389 QQRAQEAAAT399 QLGLKEMPSH409 CLVHLHKNCI 419 PQYTLGHWQK429 LESARQFLTA439 HRLPLTLAGA449 SYEGVAVNDC459 IESGRQAAVS 469 VLGTE
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| PDB ID: 4IVO Structure of human protoporphyrinogen IX oxidase(R59Q) | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [2] |
| PDB Sequence |
GRTVVVLGGG
11 ISGLAASYHL21 SRAPCPPKVV31 LVESSERLGG41 WIRSVRGPNG51 AIFELGPQGI 61 RPAGALGART71 LLLVSELGLD81 SEVLPVRGDH91 PAAQNRFLYV101 GGALHALPTG 111 LRPSPPFSKP125 LFWAGLRELT135 KPRGKEPDET145 VHSFAQRRLG155 PEVASLAMDS 165 LCRGVFAGNS175 RELSIRSCFP185 SLFQAEQTHR195 SILLGLLLGQ210 PDSALIRQAL 220 AERWSQWSLR230 GGLEMLPQAL240 ETHLTSRGVS250 VLRGQPVCGL260 SLQAEGRWKV 270 SLRDSSLEAD280 HVISAIPASV290 LSELLPAEAA300 PLARALSAIT310 AVSVAVVNLQ 320 YQGAHLPVQG330 FGHLVPSSED340 PGVLGIVYDS350 VAFPEQDGSP360 PGLRVTVMLG 370 GSWLQTLEAS380 GCVLSQELFQ390 QRAQEAAATQ400 LGLKEMPSHC410 LVHLHKNCIP 420 QYTLGHWQKL430 ESARQFLTAH440 RLPLTLAGAS450 YEGVAVNDCI460 ESGRQAAVSV 470 LGTE
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| PDB ID: 4IVM Structure of human protoporphyrinogen IX oxidase(R59G) | ||||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | Yes | [2] |
| PDB Sequence |
GRTVVVLGGG
11 ISGLAASYHL21 SRAPCPPKVV31 LVESSERLGG41 WIRSVRGPNG51 AIFELGPGGI 61 RPAGALGART71 LLLVSELGLD81 SEVLPVRGDH91 PAAQNRFLYV101 GGALHALPTG 111 LRPSPPFSKP125 LFWAGLRELT135 KPRGKEPDET145 VHSFAQRRLG155 PEVASLAMDS 165 LCRGVFAGNS175 RELSIRSCFP185 SLFQAEQTHR195 SILLGLLLGQ210 PDSALIRQAL 220 AERWSQWSLR230 GGLEMLPQAL240 ETHLTSRGVS250 VLRGQPVCGL260 SLQAEGRWKV 270 SLRDSSLEAD280 HVISAIPASV290 LSELLPAEAA300 PLARALSAIT310 AVSVAVVNLQ 320 YQGAHLPVQG330 FGHLVPSSED340 PGVLGIVYDS350 VAFPEQDGSP360 PGLRVTVMLG 370 GSWLQTLEAS380 GCVLSQELFQ390 QRAQEAAATQ400 LGLKEMPSHC410 LVHLHKNCIP 420 QYTLGHWQKL430 ESARQFLTAH440 RLPLTLAGAS450 YEGVAVNDCI460 ESGRQAAVSV 470 LGTE
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural insight into human variegate porphyria disease. FASEB J. 2011 Feb;25(2):653-64. | ||||
| REF 2 | Quantitative structural insight into human variegate porphyria disease. J Biol Chem. 2013 Apr 26;288(17):11731-40. | ||||
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