2026-08-22_00000059
|
ligand
|
13TL
Orf9b homodimer in complex with fragment ZINC000020213524;
X-ray diffraction 1.51Å
Protein #1
97 residues (87% resolved)
Raw Sequence ...
MDPKISEMHPALRLVDPQIQLAVTRMENAVGRDQNNVGPKVYPIILRLGSPLSLNMARKTLNSLEDKAFQLTPIAVQMTKLATTEELPDEFVVVTVK
Canonical Sequence ...
MDPKISEMHPALRLVDPQIQLAVTRMENAVGRDQNNVGPKVYPIILRLGSPLSLNMARKTLNSLEDKAFQLTPIAVQMTKLATTEELPDEFVVVTVK
Non polymer #2
A1C1G
InChI=1S/C13H14N2O4S/c1-15(9-10-5-3-2-4-6-10)20(18,19)11-7-12(13(16)17)14-8-11/h2-8,14H,9H2,1H3,(H,16,17)
InChI=1S/C13H14N2O4S/c1-15(9-10-5-3-2-4-6-10)20(18,19)11-7-12(13(16)17)14-8-11/h2-8,14H,9H2,1H3,(H,16,17)
SMILES: CN(Cc1ccccc1)S(=O)(=O)c2cc([nH]c2)C(=O)O
CN(Cc1ccccc1)S(=O)(=O)c2cc([nH]c2)C(=O)O
Non polymer #3
D10
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
SMILES: CCCCCCCCCC
CCCCCCCCCC
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
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%