Ligand · 3XU

3XU · (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide

3XU, (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide (C47 H94 N2 O6 P +1, 814.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: 3XU
Formula: C47 H94 N2 O6 P +1
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

3XU in 2 structures; the first of them:

4X6F · CD1a binary complex with sphingomyelin · 3XU A301 · binds PHE10, VAL12, TRP14, VAL28, SER29, GLY30, HIS38, THR39 and 27 more
4X6F · CD1A binary complex with sphingomyelin · 3XU A301 · binds PHE10, VAL12, TRP14, VAL28, SER29, GLY30, HIS38, THR39 and 27 more

Residues it binds most

LEU 2, GLY 2, PHE 2, TRP 2, VAL 2, THR 2, ARG 2, ILE 2, SER 2, ASN 2 (residue and the binding sites it lines).

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