Ligand · 6BI

6BI · [(2~{R},3~{S},4~{R},5~{R})-5-[6-(ethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

6BI, [(2~{R},3~{S},4~{R},5~{R})-5-[6-(ethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate (C18 H28 Cl N6 O8 P, 522.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component: 6BI
Formula: C18 H28 Cl N6 O8 P
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

6BI in 2 structures; the first of them:

7P8P · Crystal structure of Fhit covalently bound to a nucleotide · 6BI A201 · binds PHE5, CYS8, ILE10, LEU25, VAL26, ASN27, ARG28, LYS29 and 15 more
7P8P · Crystal structure of fhit covalently bound to a nucleotide · 6BI A201 · binds PHE5, CYS8, ILE10, VAL26, ASN27, ARG28, LYS29, HIS35 and 13 more

Residues it binds most

GLN 8, LEU 8, VAL 8, HIS 8, ASN 8, GLY 8, PHE 8, THR 8, CYS 5, ARG 8 (residue and the binding sites it lines).

Found with

NA · Sodium ion
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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