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Ligand · JBR

JBR · 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid

JBR, 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid (C23 H16 O6, 388.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues…

Component
JBR
Formula
C23 H16 O6
Class
ligand
Structures
3
PDB entries
2

Binding sites

JBR in 3 structures; the first of them:

  • 7ERE · Crystal structure of human Biliverdin IX-beta reductase B with Pyrantel Pamoate (PPA) · JBR A402 · binds SER111, ALA112, PHE113, TRP116, PRO122, ARG124, PRO151, PRO152 and 4 more
  • 7XDF · Cryo-EM structures of human mitochondrial NAD(P)+-dependent malic enzyme in a ternary… · JBR A603 · binds ASN35, GLY37, MET38, LEU54, PRO55, GLN64, ARG67, PHE68 and 10 more
  • 7ERE · Crystal structure of human biliverdin IX-beta reductase B with pyrantel pamoate (ppa) · JBR A402 · binds SER111, ALA112, PHE113, TRP116, PRO122, ARG124, PRO151, PRO152 and 4 more

Residues it binds most

ARG 12, HIS 12, PHE 12, PRO 8, TYR 8, LEU 8, SER 7, ASN 4, GLN 8, MET 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion
  • NAD · Nicotinamide-adenine-dinucleotide

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