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Ligand · XD2

XD2 · (2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

XD2, (2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (C18 H20 N6 O5 S2, 464.5 g/mol), in the MolNFT structures on GenesisL1…

Component
XD2
Formula
C18 H20 N6 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XD2 in 2 structures; the first of them:

  • 3N8S · Crystal Structure of BlaC-E166A covalently bound with Cefamandole · XD2 A308 · binds CYS83, SER84, LYS87, ILE117, SER142, ASN186, THR232, ARG236 and 5 more
  • 3N8S · Crystal structure of blac-E166A covalently bound with cefamandole · XD2 A308 · binds CYS83, SER84, LYS87, ILE117, SER142, ASN186, THR232, ARG236 and 5 more

Residues it binds most

THR 2, GLY 2, LYS 2, SER 2, ARG 2, ASN 2, CYS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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