Ligand · NEI

NEI · (2S,3S,4R,5R)-5-(6-amino-2-iodo-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide

NEI, (2S,3S,4R,5R)-5-(6-amino-2-iodo-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (C12 H15 I N6 O4, 434.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component: NEI
Formula: C12 H15 I N6 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

NEI in 2 structures; the first of them:

2H8M · N-Domain Of Grp94 In Complex With the 2-Iodo-NECA · NEI A401 · binds ASN107, ALA108, ALA111, ASP149, VAL152, GLY153, MET154, ASN162 and 6 more
2H8M · N-domain of GRP94 in complex with the 2-iodo-neca · NEI A401 · binds ASN107, ALA108, ALA111, ASP149, VAL152, GLY153, MET154, ASN162 and 6 more

Residues it binds most

ALA 4, ASN 4, GLY 4, VAL 4, ASP 4, LEU 4, MET 4, PHE 4, THR 4, TYR 4 (residue and the binding sites it lines).

Found with

1PE · Pentaethylene glycol
PG4 · Tetraethylene glycol

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