Ligand · I1J

I1J · 1,3-bis(sulfanyl)propan-2-one

I1J, 1,3-bis(sulfanyl)propan-2-one (C3 H6 O S2, 122.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component: I1J
Formula: C3 H6 O S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

I1J in 2 structures; the first of them:

7TB1 · Crystal structure of STUB1 with a macrocyclic peptide · I1J C101 · binds PHE37, VAL38, ALA1, CYS2, SER3, SER4, TRP6, CYS7 and 1 more
7TB1 · Crystal structure of STUB1 with a macrocyclic peptide · I1J C101 · binds PHE37, VAL38, ALA1, CYS2, SER4, TRP6, CYS7, PRO8

Residues it binds most

CYS 4, SER 4, PHE 4, PRO 4, TRP 4, VAL 4, ALA 3 (residue and the binding sites it lines).

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