2024-01-20_00000044
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ligand
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7GTH
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000637a;
X-ray diffraction 1.66Å
Protein #1
321 residues (88% resolved)
Raw Sequence ...
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPSRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTVGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN
Canonical Sequence ...
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPSRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTVGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN
Non polymer #2
A1ABM
InChI=1S/C14H16N2O2/c1-9-2-3-12-11(6-9)14-10(8-18-12)7-16-13(17)4-5-15(14)16/h2-3,6,10,14H,4-5,7-8H2,1H3/t10-,14-/m0/s1
InChI=1S/C14H16N2O2/c1-9-2-3-12-11(6-9)14-10(8-18-12)7-16-13(17)4-5-15(14)16/h2-3,6,10,14H,4-5,7-8H2,1H3/t10-,14-/m0/s1
SMILES: Cc1ccc2c(c1)[C@@H]3[C@@H](CN4N3CCC4=O)CO2
Cc1ccc2c(c1)[C@@H]3[C@@H](CN4N3CCC4=O)CO2
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
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