2026-06-27_00000081
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ligand
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31EZ
UapA (Q408E) in MSP1E3D1 nanodiscs, Xanthine-bound state;
Electron microscopy 3.48Å
Protein #1
520 residues (100% resolved)
Raw Sequence ...
QRVRLLARHLTTREGLIGDYDYGFLFRPELPFMKKDPRAPPFFGLNEKIPVLLAFILGLQHALAMLAGVVTPPLIISSSLSLPSDLQQYLVSTSLIVCGLLSMVQITRFHIYKTPYYIGSGVLSVMGVSFSIISVASGAFNQMYSNGFCQLDEAGNRLPCPEAYGALIGTSACCALVEILLAFVPPKVIQKIFPPIVTGPTVMLIGISLIGTGFKDWAGGSACMDDGMLCPSATAPRPLPWGSPEFIGLGFLVFVSIILCERFGAPIMKSCSVVIGLLVGCIVAAACGYFSHADIDAAPAASFIWVKTFPLSVYGPMVLPIIAVFIICACECIGDVTATCDVSRLEVRGGTFESRIQGAVLADGINSVVAALATMTPMTTFAENNGVIALTRCANRWAGYCCCLILIVAGIFAKFAAAIVAIPNSVMGGMKTFLFASVVISGQAIVAKAPFTRRNRFILTASMALGYGATLVPTWFGNVFPQTENRDLEGFENAIELVLETGFAVTAFVAMLLNAIMPAE
Canonical Sequence ...
QRVRLLARHLTTREGLIGDYDYGFLFRPELPFMKKDPRAPPFFGLNEKIPVLLAFILGLQHALAMLAGVVTPPLIISSSLSLPSDLQQYLVSTSLIVCGLLSMVQITRFHIYKTPYYIGSGVLSVMGVSFSIISVASGAFNQMYSNGFCQLDEAGNRLPCPEAYGALIGTSACCALVEILLAFVPPKVIQKIFPPIVTGPTVMLIGISLIGTGFKDWAGGSACMDDGMLCPSATAPRPLPWGSPEFIGLGFLVFVSIILCERFGAPIMKSCSVVIGLLVGCIVAAACGYFSHADIDAAPAASFIWVKTFPLSVYGPMVLPIIAVFIICACECIGDVTATCDVSRLEVRGGTFESRIQGAVLADGINSVVAALATMTPMTTFAENNGVIALTRCANRWAGYCCCLILIVAGIFAKFAAAIVAIPNSVMGGMKTFLFASVVISGQAIVAKAPFTRRNRFILTASMALGYGATLVPTWFGNVFPQTENRDLEGFENAIELVLETGFAVTAFVAMLLNAIMPAE
Non polymer #2
ERG
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Non polymer #3
MYR
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
SMILES: CCCCCCCCCCCCCC(=O)O
CCCCCCCCCCCCCC(=O)O
Non polymer #4
XAN
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
SMILES: c1[nH]c2c(n1)C(=O)NC(=O)N2
c1[nH]c2c(n1)C(=O)NC(=O)N2
Biounit #1
homo-dimer
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Model
Reference
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