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Ligand · DIA

DIA · Octane 1,8-diamine

DIA, Octane 1,8-diamine (C8 H20 N2, 144.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
DIA
Formula
C8 H20 N2
Class
ligand
Structures
4
PDB entries
4

Binding sites

DIA in 4 structures; the first of them:

  • 1H83 · Structure of polyamine oxidase in complex with 1,8-diaminooctane · DIA A590 · binds GLU62, TYR169, GLU170, PHE171, LEU186, TYR298, PHE403, SER404 and 3 more
  • 2XMF · Myosin 1e SH3 · DIA A1055 · binds ASP12, ASP14, GLU15, ASP30, TRP34, LEU45
  • 3BI5 · Crystal structures of fms1 in complex with its inhibitors · DIA A2841 · binds TRP65, HIS67, PHE97, TYR170, LEU173, TRP174, LEU294, VAL314 and 3 more
  • 3WWX · Crystal structure of D-stereospecific amidohydrolase from Streptomyces sp. 82F2 · DIA A401 · binds PHE155, SER246, LEU248, SER249, GLY337, ILE338, HIS339, SER341 and 2 more

Residues it binds most

TYR 5, LEU 7, PHE 6, GLU 4, SER 4, TRP 5, GLY 5, ASP 2, ASN 3, HIS 3 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FCA · alpha-D-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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