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Ligand · 27B

27B · 1-bromonaphthalene-2-carboxylic acid

27B, 1-bromonaphthalene-2-carboxylic acid (C11 H7 Br O2, 251.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
27B
Formula
C11 H7 Br O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

27B in 2 structures; the first of them:

  • 4K4R · TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite · 27B A102 · binds LYS14, LEU63, ILE64, GLU65, LYS70, ALA71
  • 4K4R · Tl-3 inhibited TRP6ALA HIV protease with 1-bromo-2-napthoic acid bound in exosite · 27B A102 · binds LYS14, LEU63, ILE64, GLU65, LYS70, ALA71

Residues it binds most

LYS 4, LEU 4, ALA 2, GLU 2, ILE 2 (residue and the binding sites it lines).

Found with

  • 3TL · benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
  • BR · Bromide ion
  • NO3 · Nitrate ion
  • DMS · Dimethyl sulfoxide

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