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 | Flavin-Adenine Dinucleotide | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O | ||||
| InChI | 1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 | ||||
| InChIKey | VWWQXMAJTJZDQX-UYBVJOGSSA-N | ||||
| PubChem Compound ID | 643975 | ||||
| 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
|
|||||
|
|
LEU8
4.689
GLY9
3.357
GLY10
4.122
GLY11
3.486
ILE12
3.555
SER13
3.039
GLY14
4.454
VAL33
3.075
GLU34
2.666
SER35
3.000
SER36
4.260
GLY40
4.246
GLY41
3.220
TRP42
2.966
ILE43
4.230
LEU56
3.637
GLY57
3.462
PRO58
3.252
ARG59
3.637
GLY60
3.678
GLN255
4.191
|
|||||
| 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
|
|||||
|
|
LEU8
4.740
GLY9
3.194
GLY10
4.011
GLY11
3.348
ILE12
3.370
SER13
2.909
GLY14
4.427
VAL33
3.104
GLU34
2.637
SER35
2.951
SER36
4.316
GLY40
4.268
GLY41
3.041
TRP42
2.958
ILE43
3.961
LEU56
3.746
GLY57
3.260
PRO58
2.900
GLN59
3.610
GLY60
2.941
ILE61
4.703
|
|||||
| 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
|
|||||
|
|
LEU8
4.752
GLY9
3.199
GLY10
3.827
GLY11
3.181
ILE12
3.150
SER13
2.880
GLY14
4.347
VAL33
3.086
GLU34
2.758
SER35
2.941
SER36
4.212
GLY40
4.320
GLY41
3.141
TRP42
2.917
ILE43
3.733
LEU56
3.697
GLY57
3.446
PRO58
3.166
GLY59
3.872
GLY60
3.393
GLN255
4.079
|
|||||
| 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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