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Ligand · COI

COI · 2-oxo-4-methylpentanoic acid

COI, 2-oxo-4-methylpentanoic acid (C6 H10 O3, 130.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
COI
Formula
C6 H10 O3
Class
ligand
Structures
6
PDB entries
6

Binding sites

COI in 6 structures; the first of them:

  • 5ERE · Extracellular ligand binding receptor from Desulfohalobium retbaense DSM5692 · COI A601 · binds PHE45, ILE48, CYS101, SER102, SER103, TRP104, GLY124, SER125 and 7 more
  • 8FTR · SgvM methyltransferase with MTA and alpha-ketoleucine · COI A502 · binds TRP104, ARG132, VAL137, SER141, MET144, PHE149, PHE241, HIS244 and 4 more
  • 8FTS · SgvM methyltransferase with SAH and alpha-ketoleucine · COI A503 · binds TRP104, ARG132, VAL137, SER141, MET144, PHE241, HIS244, HIS296 and 3 more
  • 8IXM · Pseudomoans Aerugiona Wildtype Ketopantoate Reductase ternary complex with NADP+ and… · COI A404 · binds ASN108, CYS131, PHE132, ILE133, CYS134, LYS196, TRP199, ASN200 and 5 more
  • 8RWW · Crystal structure of native alpha-keto C-methyl transferase SgvM bound to ketoleucine · COI A1002 · binds TRP104, ARG132, VAL137, SER141, MET144, PHE149, PHE241, HIS244 and 3 more
  • 8RXF · Crystal structure of S-SAD phased alpha-keto C-methyl transferase SgvM bound to… · COI A502 · binds TRP104, ARG132, VAL137, SER141, MET144, PHE149, PHE241, HIS244 and 3 more

Residues it binds most

PHE 7, MET 5, SER 7, HIS 4, TRP 7, ASN 2, ARG 5, CYS 3, VAL 4, ILE 3 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • GOL · Glycerol
  • CL · Chloride ion
  • CYT · 6-aminopyrimidin-2(1H)-one
  • MTA · 5'-deoxy-5'-methylthioadenosine
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • CA · Calcium ion
  • ACY · Acetic acid
  • EDO · 1,2-ethanediol
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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