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Ligand · BIY

BIY · (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid

BIY, (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid (C8 H11 N O4 S, 217.2 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…

Component
BIY
Formula
C8 H11 N O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

BIY in 4 structures; the first of them:

  • 2WK0 · Crystal structure of the class A beta-lactamase BS3 inhibited by 6… · BIY A300 · binds ALA69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 4 more
  • 2WKE · Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6… · BIY A500 · binds ALA48, SER49, LYS52, TYR147, PHE297, SER298, ASN300, THR393 and 2 more
  • 2WK0 · Crystal structure of the class a beta-lactamase BS3 inhibited by 6-beta-iodopenicillanate. · BIY A300 · binds ALA69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 4 more
  • 2WKE · Crystal structure of the actinomadura R39 dd-peptidase inhibited by… · BIY A500 · binds ALA48, SER49, LYS52, TYR147, PHE297, SER298, ASN300, THR393 and 2 more

Residues it binds most

SER 12, ASN 12, ALA 12, THR 10, GLY 12, LYS 12, TYR 12, PHE 6, GLU 4, PRO 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CO · Cobalt (II) ion
  • CL · Chloride ion
  • CIT · Citric acid
  • EOH · Ethanol

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