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Ligand · RBW

RBW · 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid

RBW, 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid (C20 H20 Cl N O4 S, 405.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
RBW
Formula
C20 H20 Cl N O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

RBW in 4 structures; the first of them:

  • 7AFY · Crystal structure of the metallo-beta-lactamase VIM1 with 1306 · RBW A301 · binds PHE62, TYR67, TRP87, HIS116, ASP117, ASP118, HIS179, CYS198 and 8 more
  • 7AFZ · L1 metallo-b-lactamase with compound EBL-1306 · RBW A303 · binds TYR11, TRP17, HIS84, HIS86, ASP88, HIS89, PHE124, ILE128 and 8 more
  • 7AFY · Crystal structure of the metallo-beta-lactamase VIM1 with 1306 · RBW A301 · binds PHE62, TYR67, TRP87, HIS116, ASP118, HIS179, CYS198, HIS201 and 5 more
  • 7AFZ · L1 metallo-B-lactamase with compound ebl-1306 · RBW A303 · binds TYR11, HIS84, ASP88, HIS89, PHE124, ILE128, HIS160, SER185 and 4 more

Residues it binds most

HIS 4, SER 4, ASP 4, PHE 4, TYR 4, ALA 3, GLY 3, TRP 3, ASN 2, CYS 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NA · Sodium ion
  • SO4 · Sulfate ion

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