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Ligand · LEA

LEA · Pentanoic acid

LEA, Pentanoic acid (C5 H10 O2, 102.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
LEA
Formula
C5 H10 O2
Class
ligand
Structures
6
PDB entries
5

Binding sites

LEA in 6 structures; the first of them:

  • 5H9I · Crystal structure of Geobacter metallireducens SMUG1 with xanthine · LEA A307 · binds ARG121, PHE122, ARG127, ARG131, PHE237
  • 5I8S · Structure of Mouse Acireductone dioxygenase with Ni2+ ion and pentanoic acid in the… · LEA A202 · binds ILE69, PHE84, GLU94, ARG96, PHE105, PHE135, ALA145
  • 6ZWI · Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta… · LEA A605 · binds GLY115, GLY116, GLY117, SER198, ALA199, TRP231, LEU286, SER287 and 4 more
  • 6KSI · Staphylococcus aureus lipase - native · LEA A406 · binds LEU18, TYR29, TYR32, HIS115, VAL350
  • 6ZWI · Human butyrylcholinesterase in complex with ((6-((2E,4E)-5… · LEA A605 · binds GLY116, GLY117, SER198, ALA199, TRP231, LEU286, VAL288, PHE398 and 1 more
  • 7XJO · Crystal structure of human mmp-2 catalytic domain in complex with inhibitor · LEA C8 · binds GLY81, LEU82, GLU9, ASP10

Residues it binds most

PHE 5, GLY 4, ALA 4, ARG 2, LEU 4, GLU 3, HIS 3, SER 2, VAL 3, ASP 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol
  • QRH · (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
  • CA · Calcium ion
  • ZN · Zinc ion
  • FUC · alpha-L-fucopyranose
  • GAL · beta-D-galactopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SIA · N-acetyl-alpha-neuraminic acid
  • BR · Bromide ion
  • SO4 · Sulfate ion

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