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Ligand · 9ON

9ON · (2~{S})-2-methylpentanedioic acid

9ON, (2~{S})-2-methylpentanedioic acid (C6 H10 O4, 146.1 g/mol), in the MolNFT structures on GenesisL1: bound in 17 records (13 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
9ON
Formula
C6 H10 O4
Class
ligand
Structures
17
PDB entries
13

Binding sites

9ON in 17 structures; the first of them:

  • 5O9D · Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43H, H39Y · 9ON A504 · binds CYS38, SER40, HIS62, LEU119, ASP153, ILE271, PHE294
  • 5O9F · Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43S, H39Y · 9ON A504 · binds CYS38, SER40, VAL44, TYR54, HIS62, LEU119, ASP153, ILE271 and 1 more
  • 5Y8L · Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD… · 9ON A305 · binds ARG145, GLU149, ALA152, GLY153, ILE155
  • 5Y8P · Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + 3-Hydroxy… · 9ON A302 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 5O9D · Crystal structure of R. ruber adh-a, mutant Y294F, W295A, Y54F, F43H, H39Y · 9ON A504 · binds CYS38, SER40, HIS62, LEU119, ASP153, ILE271, PHE294
  • 5O9F · Crystal structure of R. ruber adh-a, mutant Y294F, W295A, Y54F, F43S, H39Y · 9ON A504 · binds CYS38, SER40, VAL44, TYR54, HIS62, LEU119, ASP153, ILE271 and 1 more
  • 5Y8G · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) · 9ON A303 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 5Y8H · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD+ · 9ON A305 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 5Y8I · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) +… · 9ON A303 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 5Y8J · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) +… · 9ON A306 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 5Y8K · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + L-serine · 9ON A304 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 5Y8L · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD… · 9ON A305 · binds ARG145, GLU149, ALA152, GLY153, ILE155
  • 5Y8M · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD +… · 9ON A305 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 5Y8N · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD + L-serine · 9ON A307 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 5Y8O · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD +… · 9ON A303 · binds ALA128, ARG145, GLU149, ALA152, GLY153
  • 5Y8P · Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + 3-hydroxy… · 9ON A302 · binds ARG145, GLU149, ALA152, GLY153, LYS154, ILE155
  • 6FS3 · Phosphotriesterase PTE_A53_1 · 9ON A404 · binds HIS55, HIS57, TRP131, HIS201, HIS230, HIS257, LEU271, ASP301 and 2 more

Residues it binds most

ALA 25, ILE 34, GLY 25, HIS 16, GLU 23, LYS 21, LEU 18, PHE 16, ASP 16, ARG 14 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • NAD · Nicotinamide-adenine-dinucleotide
  • AKR · Acrylic acid
  • ZN · Zinc ion
  • 3OH · 3-hydroxy-propanoic acid
  • HUI · (2S)-2-methyl-3-oxidanyl-propanoic acid
  • HIU · (2R)-3-hydroxy-2-methylpropanoic acid
  • MG · Magnesium ion
  • FMT · Formic acid

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