2026-03-14_00000466
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ligand
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9Z1L
Structure of KIT V654A mutant with Compound 1;
X-ray diffraction 1.54Å
Protein #1
359 residues (87% resolved)
Raw Sequence ...
MSYYHHHHHHDYDIPTTENLYFQGPTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIANLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHI
Canonical Sequence ...
MSYYHHHHHHDYDIPTTENLYFQGPTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIANLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHI
Non polymer #2
A1CZZ
InChI=1S/C17H21N7O/c1-11(2)25-14-7-16(22-15-5-6-19-17(18-3)23-15)20-9-13(14)12-8-21-24(4)10-12/h5-11H,1-4H3,(H2,18,19,20,22,23)
InChI=1S/C17H21N7O/c1-11(2)25-14-7-16(22-15-5-6-19-17(18-3)23-15)20-9-13(14)12-8-21-24(4)10-12/h5-11H,1-4H3,(H2,18,19,20,22,23)
SMILES: CC(C)Oc1cc(ncc1c2cnn(c2)C)Nc3ccnc(n3)NC
CC(C)Oc1cc(ncc1c2cnn(c2)C)Nc3ccnc(n3)NC
Non polymer #3
MRD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1
SMILES: C[C@H](CC(C)(C)O)O
C[C@H](CC(C)(C)O)O
Biounit #1
monomer
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Model
Reference
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