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Ligand · 01I

01I · naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid

01I, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid (C16 H8 O6, 296.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
01I
Formula
C16 H8 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

01I in 4 structures; the first of them:

  • 3MA3 · Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with… · 01I A313 · binds LEU44, VAL52, ALA65, LYS67, GLU89, ILE104, LEU120, GLU121 and 5 more
  • 3MB6 · Human CK2 catalytic domain in complex with a difurane derivative inhibitor (CPA) · 01I A332 · binds LEU45, VAL53, VAL66, LYS68, GLU81, ILE95, PHE113, GLU114 and 5 more
  • 3MA3 · Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with… · 01I A313 · binds LEU44, VAL52, ALA65, LYS67, GLU89, ILE104, LEU120, GLU121 and 5 more
  • 3MB6 · Human CK2 catalytic domain in complex with a difurane derivative inhibitor (cpa) · 01I A332 · binds LEU45, VAL53, VAL66, LYS68, GLU81, ILE95, PHE113, GLU114 and 5 more

Residues it binds most

VAL 4, GLU 4, ILE 4, LEU 4, ASP 4, LYS 4, ALA 2, ARG 2, ASN 2, MET 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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