2024-01-20_00000051
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ligand
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7GTO
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000602a;
X-ray diffraction 1.65Å
Protein #1
321 residues (88% resolved)
Raw Sequence ...
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPSRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTVGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN
Canonical Sequence ...
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPSRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTVGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN
Non polymer #2
A1ABT
InChI=1S/C14H17N3O/c1-15-8-10-9-17-13(18)6-7-16(17)14(10)11-4-2-3-5-12(11)15/h2-5,10,14H,6-9H2,1H3/t10-,14+/m1/s1
InChI=1S/C14H17N3O/c1-15-8-10-9-17-13(18)6-7-16(17)14(10)11-4-2-3-5-12(11)15/h2-5,10,14H,6-9H2,1H3/t10-,14+/m1/s1
SMILES: CN1C[C@@H]2CN3C(=O)CCN3[C@@H]2c4c1cccc4
CN1C[C@@H]2CN3C(=O)CCN3[C@@H]2c4c1cccc4
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
Download coordinates
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Model
Reference
100%