2025-12-13_00000262
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ligand
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9UZT
Crystal structure of human PTPN2 with inhibitor K-38;
X-ray diffraction 2.17Å
Protein #1
300 residues (94% resolved)
Raw Sequence ...
PLGSPWGSIEREFEELDTQRRWQPLYLEIRNESHDYPHRVAKFPENRNRNRYRDVSPYDHSRVKLQNAENDYINASLVDIEEAQRSYILTQGPLPNTCCHFWLMVWQQKTKAVVMLNRIVEKESVKCAQYWPTDDQEMLFKETGFSVKLLSEDVKSYYTVHLLQLENINSGETRTISHFHYTTWPDFGVPESPASFLNFLFKVRESGSLNPDHGPAVIHCSAGIGRSGTFSLVDTCLVLMEKGDDINIKQVLLNMRKYRMGLIQTPDQLRFSYMAIIEGAKCIKGDSSIQKRWKELSKED
Canonical Sequence ...
PLGSPWGSIEREFEELDTQRRWQPLYLEIRNESHDYPHRVAKFPENRNRNRYRDVSPYDHSRVKLQNAENDYINASLVDIEEAQRSYILTQGPLPNTCCHFWLMVWQQKTKAVVMLNRIVEKESVKCAQYWPTDDQEMLFKETGFSVKLLSEDVKSYYTVHLLQLENINSGETRTISHFHYTTWPDFGVPESPASFLNFLFKVRESGSLNPDHGPAVIHCSAGIGRSGTFSLVDTCLVLMEKGDDINIKQVLLNMRKYRMGLIQTPDQLRFSYMAIIEGAKCIKGDSSIQKRWKELSKED
Non polymer #2
A1EQR
InChI=1S/C19H22FN5O5S/c20-13-7-11(8-15(26)17(13)25-10-16(27)24-31(25,29)30)14-9-21-18(23-14)19(28)22-12-5-3-1-2-4-6-12/h7-9,12,26H,1-6,10H2,(H,21,23)(H,22,28)(H,24,27)
InChI=1S/C19H22FN5O5S/c20-13-7-11(8-15(26)17(13)25-10-16(27)24-31(25,29)30)14-9-21-18(23-14)19(28)22-12-5-3-1-2-4-6-12/h7-9,12,26H,1-6,10H2,(H,21,23)(H,22,28)(H,24,27)
SMILES: c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3c[nH]c(n3)C(=O)NC4CCCCCC4
c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3c[nH]c(n3)C(=O)NC4CCCCCC4
Biounit #1
monomer
Download coordinates
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Model
Reference
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