2026-03-14_00000474
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ligand
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9Z2S
Structure of KIT V654A mutant with Compound 11;
X-ray diffraction 2.10Å
Protein #1
359 residues (89% resolved)
Raw Sequence ...
MSYYHHHHHHDYDIPTTENLYFQGPTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIANLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHI
Canonical Sequence ...
MSYYHHHHHHDYDIPTTENLYFQGPTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIANLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHI
Non polymer #2
A1CZ3
InChI=1S/C17H23N7O/c1-9(2)21-12-6-14(20-8-11(12)17(25)19-3)23-15-7-13(18)22-16(24-15)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,19,25)(H4,18,20,21,22,23,24)
InChI=1S/C17H23N7O/c1-9(2)21-12-6-14(20-8-11(12)17(25)19-3)23-15-7-13(18)22-16(24-15)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,19,25)(H4,18,20,21,22,23,24)
SMILES: CC(C)Nc1cc(ncc1C(=O)NC)Nc2cc(nc(n2)C3CC3)N
CC(C)Nc1cc(ncc1C(=O)NC)Nc2cc(nc(n2)C3CC3)N
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Model
Reference
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