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Ligand · 16D

16D · Hexane-1,6-diamine

16D, Hexane-1,6-diamine (C6 H16 N2, 116.2 g/mol), in the MolNFT structures on GenesisL1: bound in 20 records (10 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
16D
Formula
C6 H16 N2
Class
ligand
Structures
20
PDB entries
10

Binding sites

16D in 20 structures; the first of them:

  • 1WOG · Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism… · 16D A1401 · binds HIS121, HIS145, LEU146, ASP147, PHE148, THR149, ASN159, SER160 and 3 more
  • 2QK9 · Human RNase H catalytic domain mutant D210N in complex with 18-mer RNA/DNA hybrid · 16D C1004 · binds G6, A7, C8, DT28, DG29, DT30
  • 3NIP · Crystal structure of Pseudomonas aeruginosa guanidinopropionase complexed with… · 16D B327 · binds ARG51, PRO246, PRO250, PRO255, ILE257, PHE248, GLY292, ALA294 and 2 more
  • 4BG1 · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A904 · binds ILE68, TYR75, TYR83
  • 4BGK · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A404 · binds TYR75, TYR83
  • 4BGM · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A404 · binds ILE68, ASP70, TYR75, TYR83, GLU85
  • 4BHF · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A404 · binds ILE68, TYR75, TYR83, GLU85
  • 4BHG · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A406 · binds ILE68, TYR75, TYR83
  • 4BHI · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A404 · binds TYR75, TYR83
  • 4C5W · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A406 · binds ILE68, ASP70, TYR75, TYR83
  • 1WOG · Crystal structure of agmatinase reveals structural conservation and inhibition mechanism… · 16D A1401 · binds HIS121, HIS145, LEU146, ASP147, PHE148, THR149, ASN159, SER160 and 3 more
  • 2QK9 · Human RNase H catalytic domain mutant D210N in complex with 18-mer RNA/DNA hybrid · 16D C1004 · binds G6, A7, C8, DT28, DG29, DT30
  • 3NIP · Crystal structure of pseudomonas aeruginosa guanidinopropionase complexed with… · 16D B327 · binds ARG51, PRO246, PRO250, PRO255, ILE257, PHE248, GLY292, ALA294 and 2 more
  • 4BG1 · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A904 · binds ILE68, TYR75, TYR83
  • 4BGK · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A404 · binds TYR75, TYR83
  • 4BGM · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A404 · binds ILE68, ASP70, TYR75, TYR83, GLU85
  • 4BHF · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A404 · binds ILE68, TYR75, TYR83, GLU85
  • 4BHG · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A406 · binds ILE68, TYR75, TYR83
  • 4BHI · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A404 · binds TYR75, TYR83
  • 4C5W · Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with… · 16D A406 · binds ILE68, ASP70, TYR75, TYR83

Residues it binds most

ASP 18, TYR 14, PRO 10, LEU 22, PHE 20, GLU 18, HIS 14, ILE 20, ALA 8, THR 16 (residue and the binding sites it lines).

Found with

  • OGA · N-oxalylglycine
  • ZN · Zinc ion
  • C2T · 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid
  • DLT · 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium
  • IVL · 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium
  • MZT · 4-(Trimethylammonio)pentanoic acid
  • NM3 · ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium
  • RTK · trimethyl(3-oxidanylphosphonoylpropyl)azanium
  • RUJ · 3-(1,1,1,2-tetramethylhydrazin-1-ium-2-yl)propanoate
  • MN · Manganese (II) ion
  • NA · Sodium ion
  • SO4 · Sulfate ion

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