2026-09-05_00000319
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ligand
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9Y9Q
Sulfamoyl Fluoride Small Molecules React at Tyrosine and Inhibit Ral GTPases;
X-ray diffraction 1.41Å
Protein #1
186 residues (90% resolved)
Raw Sequence ...
MAANKPKGQNSLALHKVIMVGSGGVGKSALTLQFMYDEFVEDYEPTKADSYRKKVVLDGEEVQIDILDTAGQEDYAAIRDNYFRSGEGFLCVFSITEMESFAATADFREQILRVKEDENVPFLLVGNKSDLEDKRQVSVEEAKNRAEQWNVNYVETSAKTRANVDKVFFDLMREIRARLEHHHHHH
Canonical Sequence ...
MAANKPKGQNSLALHKVIMVGSGGVGKSALTLQFMYDEFVEDYEPTKADSYRKKVVLDGEEVQIDILDTAGQEDYAAIRDNYFRSGEGFLCVFSITEMESFAATADFREQILRVKEDENVPFLLVGNKSDLEDKRQVSVEEAKNRAEQWNVNYVETSAKTRANVDKVFFDLMREIRARLEHHHHHH
Non polymer #2
A1CUJ
InChI=1S/C14H12F2N2O5S2/c15-14-11(9-4-5-9)2-1-3-12(14)17-24(20,21)10-6-7-18(13(19)8-10)25(16,22)23/h1-3,6-9,17H,4-5H2
InChI=1S/C14H12F2N2O5S2/c15-14-11(9-4-5-9)2-1-3-12(14)17-24(20,21)10-6-7-18(13(19)8-10)25(16,22)23/h1-3,6-9,17H,4-5H2
SMILES: c1cc(c(c(c1)NS(=O)(=O)C2=CC(=O)N(C=C2)S(=O)(=O)F)F)C3CC3
c1cc(c(c(c1)NS(=O)(=O)C2=CC(=O)N(C=C2)S(=O)(=O)F)F)C3CC3
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
GDP
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
SMILES: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
Biounit #1
monomer
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Model
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