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Ligand · 2B4

2B4 · 2-(4-bromanylphenoxy)propanedioic acid

2B4, 2-(4-bromanylphenoxy)propanedioic acid (C9 H7 Br O5, 275.1 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 the…

Component
2B4
Formula
C9 H7 Br O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

2B4 in 4 structures; the first of them:

  • 4AJE · rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid · 2B4 A1332 · binds VAL30, THR94, GLN99, ARG105, VAL135, SER136, ASN137, LEU164 and 5 more
  • 4AJH · rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and… · 2B4 B1334 · binds VAL30, THR94, ARG98, GLN99, ARG105, VAL135, SER136, ASN137 and 6 more
  • 4AJE · Rat ldha in complex with 2-(4-BROMOPHENOXY)PROPANEDIOIC acid · 2B4 A1332 · binds VAL30, THR94, GLN99, ARG105, VAL135, SER136, ASN137, LEU164 and 5 more
  • 4AJH · Rat ldha in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and… · 2B4 B1334 · binds VAL30, THR94, ARG98, GLN99, ARG105, VAL135, SER136, ASN137 and 6 more

Residues it binds most

ARG 12, THR 12, VAL 12, ALA 12, ASN 12, GLN 12, HIS 12, ILE 12, LEU 12, SER 12 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • MLI · Malonate ion
  • 88S · N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide

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