2024-02-10_00000091
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ligand
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8INJ
Crystal structure of UGT74AN3-UDP-DIG;
X-ray diffraction 1.76Å
Protein #1
465 residues (92% resolved)
Raw Sequence ...
MTPIHILAFPFPAKGHINPLLHLCNRLASKGFKITLITTVSTLKSVKTSKANGIDIESIPDGIPQEQNHQIITVMEMNMELYFKQFKASAIENTTKLIQKLKTKNPLPKVLIYDSSMPWILEVAHEQGLLGASFFTQPCSVSAIYYHMLQGTIKLPLENSENGMVSLPYLPLLEIKDLPGVQQFEDNSEAVAELLADQFSNIDDVDYVLFNTFDALEIEVVNWMGSKWPILTVGPTAPTSMFFLDKKQKNYEDGRSINYLFETNTEVCMKWLDQREIDTVIYVSFGSLASLTEEQMEQVSQALIRSNCYFLWVVREEEENKLPKDFKETTSKKKGLVINWCPQLDVLAHKSVACFMTHCGWNSTLEALCSGVPMICMPQWADQTTNAKLIEHVWKIGVGVNKSDENGIVKREEIEDCIRQVIESERGKELKRNAIKWKELAKEAVSEGGSSCNNIQEFSSSLLFN
Canonical Sequence ...
MTPIHILAFPFPAKGHINPLLHLCNRLASKGFKITLITTVSTLKSVKTSKANGIDIESIPDGIPQEQNHQIITVMEMNMELYFKQFKASAIENTTKLIQKLKTKNPLPKVLIYDSSMPWILEVAHEQGLLGASFFTQPCSVSAIYYHMLQGTIKLPLENSENGMVSLPYLPLLEIKDLPGVQQFEDNSEAVAELLADQFSNIDDVDYVLFNTFDALEIEVVNWMGSKWPILTVGPTAPTSMFFLDKKQKNYEDGRSINYLFETNTEVCMKWLDQREIDTVIYVSFGSLASLTEEQMEQVSQALIRSNCYFLWVVREEEENKLPKDFKETTSKKKGLVINWCPQLDVLAHKSVACFMTHCGWNSTLEALCSGVPMICMPQWADQTTNAKLIEHVWKIGVGVNKSDENGIVKREEIEDCIRQVIESERGKELKRNAIKWKELAKEAVSEGGSSCNNIQEFSSSLLFN
Non polymer #2
DTX
InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
Non polymer #3
TRS
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
SMILES: C(C(CO)(CO)[NH3+])O
C(C(CO)(CO)[NH3+])O
Non polymer #4
UDP
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
Biounit #1
monomer
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Model
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