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Ligand · R0B

R0B · (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid

R0B, (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid (C12 H19 N O5 S, 289.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
R0B
Formula
C12 H19 N O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

R0B in 2 structures; the first of them:

  • 7A61 · Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form) · R0B A301 · binds CYS69, SER70, LYS73, TRP105, SER130, ASN132, GLN166, LEU167 and 8 more
  • 7A61 · Crystal structure of kpc-2 with hydrolyzed faropenem (ring-open form) · R0B A301 · binds CYS69, SER70, TRP105, SER130, ASN132, GLN166, ASN170, THR216 and 4 more

Residues it binds most

THR 2, ASN 2, SER 2, CYS 2, LYS 2, GLN 2, GLY 2, TRP 2, ARG 1, LEU 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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