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Ligand · JBB

JBB · 3-(thiophen-2-ylsulfanylmethyl)benzoic acid

JBB, 3-(thiophen-2-ylsulfanylmethyl)benzoic acid (C12 H10 O2 S2, 250.3 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
JBB
Formula
C12 H10 O2 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

JBB in 4 structures; the first of them:

  • 6QOE · Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus… · JBB B301 · binds PRO83, THR84, PRO85, GLY109, ARG110, TYR111, GLU112, GLY113 and 11 more
  • 6VSD · Mycobacterium tuberculosis dihydrofolate reductase in complex with… · JBB A201 · binds ARG23, GLN28, PHE31, THR46, SER49, LEU50, VAL54, ILE94
  • 6QOE · Crystal structure of trmd, a tRNA-(N1G37) methyltransferase, from mycobacterium abscessus… · JBB B301 · binds PRO83, THR84, PRO85, GLY109, ARG110, TYR111, GLU112, GLY113 and 9 more
  • 6VSD · Mycobacterium tuberculosis dihydrofolate reductase in complex with 3… · JBB A201 · binds ARG23, PHE31, THR46, LEU50, VAL54, ILE94

Residues it binds most

GLY 2, ILE 6, ARG 6, LEU 6, THR 5, PHE 4, PRO 2, TYR 2, GLN 3, SER 3 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • CO · Cobalt (II) ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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