2025-12-13_00000269
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ligand
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9VRR
Crystal structure of human PTPN2 with inhibitor WS3;
X-ray diffraction 1.95Å
Protein #1
301 residues (99% resolved)
Raw Sequence ...
GPLGSPWGSIEREFEELDTQRRWQPLYLEIRNESHDYPHRVAKFPENRNRNRYRDVSPYDHSRVKLQNAENDYINASLVDIEEAQRSYILTQGPLPNTCCHFWLMVWQQKTKAVVMLNRIVEKESVKCAQYWPTDDQEMLFKETGFSVKLLSEDVKSYYTVHLLQLENINSGETRTISHFHYTTWPDFGVPESPASFLNFLFKVRESGSLNPDHGPAVIHCSAGIGRSGTFSLVDTCLVLMEKGDDINIKQVLLNMRKYRMGLIQTPDQLRFSYMAIIEGAKCIKGDSSIQKRWKELSKED
Canonical Sequence ...
GPLGSPWGSIEREFEELDTQRRWQPLYLEIRNESHDYPHRVAKFPENRNRNRYRDVSPYDHSRVKLQNAENDYINASLVDIEEAQRSYILTQGPLPNTCCHFWLMVWQQKTKAVVMLNRIVEKESVKCAQYWPTDDQEMLFKETGFSVKLLSEDVKSYYTVHLLQLENINSGETRTISHFHYTTWPDFGVPESPASFLNFLFKVRESGSLNPDHGPAVIHCSAGIGRSGTFSLVDTCLVLMEKGDDINIKQVLLNMRKYRMGLIQTPDQLRFSYMAIIEGAKCIKGDSSIQKRWKELSKED
Non polymer #2
A1ETL
InChI=1S/C16H22FN3O4S/c1-10(2)3-4-19-7-12(8-19)11-5-13(17)16(14(21)6-11)20-9-15(22)18-25(20,23)24/h5-6,10,12,21H,3-4,7-9H2,1-2H3,(H,18,22)
InChI=1S/C16H22FN3O4S/c1-10(2)3-4-19-7-12(8-19)11-5-13(17)16(14(21)6-11)20-9-15(22)18-25(20,23)24/h5-6,10,12,21H,3-4,7-9H2,1-2H3,(H,18,22)
SMILES: CC(C)CCN1CC(C1)c2cc(c(c(c2)F)N3CC(=O)NS3(=O)=O)O
CC(C)CCN1CC(C1)c2cc(c(c(c2)F)N3CC(=O)NS3(=O)=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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