2025-02-01_00000123
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ligand
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9BVF
Identification of multiple ligand hotspots on SOS2, compound 6;
X-ray diffraction 1.82Å
Protein #1
514 residues (91% resolved)
Raw Sequence ...
MSYYHHHHHHLESTSLYKKAGFENLYFQEQPLRLPSPEVYRFVVKDSEENIVFEDNLQSRSGIPIIKGGTVVKLIERLTYHMYADPNFVRTFLTTYRSFCKPQELLSLLIERFEIPEPEPTDADKLAIEKGEQPISADLKRFRKEYVQPVQLRILNVFRHWVEHHFYDFERDLELLERLESFISSVRGKAMKKWVESIAKIIRRKKQAQANGVSHNITFESPPPPIEWHISKPGQFETFDLMTLHPIEIARQLTLLESDLYRKVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVEAENFEERVAVLSRIIEILQVFQDLNNFNGVLEIVSAVNSVSVYRLDHTFEALQERKRKILDEAVELSQDHFKKYLVKLKSINPPCVPFFGIYLTNILKTEEGNNDFLKKKGKDLINFSKRRKVAEITGEIQQYQNQPYCLRIEPDMRRFFENLNPMGSASEKEFTDYLFNKSLEIEPRNCKQPPRFPRKSTFSLKSPGIRPNTGRHGS
Canonical Sequence ...
MSYYHHHHHHLESTSLYKKAGFENLYFQEQPLRLPSPEVYRFVVKDSEENIVFEDNLQSRSGIPIIKGGTVVKLIERLTYHMYADPNFVRTFLTTYRSFCKPQELLSLLIERFEIPEPEPTDADKLAIEKGEQPISADLKRFRKEYVQPVQLRILNVFRHWVEHHFYDFERDLELLERLESFISSVRGKAMKKWVESIAKIIRRKKQAQANGVSHNITFESPPPPIEWHISKPGQFETFDLMTLHPIEIARQLTLLESDLYRKVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVEAENFEERVAVLSRIIEILQVFQDLNNFNGVLEIVSAVNSVSVYRLDHTFEALQERKRKILDEAVELSQDHFKKYLVKLKSINPPCVPFFGIYLTNILKTEEGNNDFLKKKGKDLINFSKRRKVAEITGEIQQYQNQPYCLRIEPDMRRFFENLNPMGSASEKEFTDYLFNKSLEIEPRNCKQPPRFPRKSTFSLKSPGIRPNTGRHGS
Non polymer #2
A1ASX
InChI=1S/C20H23N5O/c1-14-13-25(12-4-11-21-14)19-17-5-2-3-6-18(17)23-20(24-19)22-15-7-9-16(26)10-8-15/h2-3,5-10,14,21,26H,4,11-13H2,1H3,(H,22,23,24)/t14-/m0/s1
InChI=1S/C20H23N5O/c1-14-13-25(12-4-11-21-14)19-17-5-2-3-6-18(17)23-20(24-19)22-15-7-9-16(26)10-8-15/h2-3,5-10,14,21,26H,4,11-13H2,1H3,(H,22,23,24)/t14-/m0/s1
SMILES: C[C@H]1CN(CCCN1)c2c3ccccc3nc(n2)Nc4ccc(cc4)O
C[C@H]1CN(CCCN1)c2c3ccccc3nc(n2)Nc4ccc(cc4)O
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
Biounit #1
monomer
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Model
Reference
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