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Ligand · 80S

80S · 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid

80S, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid (C22 H17 Cl2 N3 O4 S, 490.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries).…

Component
80S
Formula
C22 H17 Cl2 N3 O4 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

80S in 3 structures; the first of them:

  • 7PQL · Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 · 80S A301 · binds VAL57, ASN60, ALA61, GLU64, VAL85, ASP87, ARG90, GLY91 and 7 more
  • 7PQM · Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 · 80S A301 · binds VAL57, ASN60, GLU64, ASP87, ARG90, GLY91, ILE92, PRO93 and 5 more
  • 7PTG · Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 · 80S A301 · binds VAL45, ASN48, SER49, GLU52, ASP75, ARG78, GLY79, ILE80 and 6 more

Residues it binds most

VAL 6, ARG 6, ILE 6, ASN 6, ASP 6, GLU 6, GLY 6, PRO 6, THR 6, ALA 2 (residue and the binding sites it lines).

Found with

  • 81N · 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
  • CA · Calcium ion

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