2024-01-20_00000043
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ligand
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7GTG
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000684a;
X-ray diffraction 1.69Å
Protein #1
321 residues (88% resolved)
Raw Sequence ...
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPSRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTVGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN
Canonical Sequence ...
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPSRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTVGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN
Non polymer #2
A1ABN
InChI=1S/C18H25N3O/c19-18(22)15-11-21-9-8-20(10-13-6-7-13)12-16(21)17(15)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H2,19,22)/t15-,16-,17+/m1/s1
InChI=1S/C18H25N3O/c19-18(22)15-11-21-9-8-20(10-13-6-7-13)12-16(21)17(15)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H2,19,22)/t15-,16-,17+/m1/s1
SMILES: c1ccc(cc1)[C@H]2[C@@H](CN3[C@@H]2CN(CC3)CC4CC4)C(=O)N
c1ccc(cc1)[C@H]2[C@@H](CN3[C@@H]2CN(CC3)CC4CC4)C(=O)N
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
Biounit #1
monomer
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Model
Reference
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