2025-12-06_00000001
|
ligand
|
13SA
PanDDA analysis group deposition -- IDOL RING domain in complex with Z1251361039;
X-ray diffraction 1.57Å
Protein #1
78 residues (92% resolved)
Raw Sequence ...
SQQTRVLQEKLRKLKEAMLCMVCCEEEINSTFCPCGHTVCCESCAAQLQSCPVCRSRVEHVQHVYLPTHTSLLNLTVI
Canonical Sequence ...
SQQTRVLQEKLRKLKEAMLCMVCCEEEINSTFCPCGHTVCCESCAAQLQSCPVCRSRVEHVQHVYLPTHTSLLNLTVI
Non polymer #2
A1CYA
InChI=1S/C9H10N2O2/c1-7(12)9(13)11-6-8-4-2-3-5-10-8/h2-7,12H,1H3/b11-6-/t7-/m1/s1
InChI=1S/C9H10N2O2/c1-7(12)9(13)11-6-8-4-2-3-5-10-8/h2-7,12H,1H3/b11-6-/t7-/m1/s1
SMILES: C[C@H](C(=O)/N=C\c1ccccn1)O
C[C@H](C(=O)/N=C\c1ccccn1)O
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
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 #5
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Model
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