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Ligand · CPS

CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate

CPS, 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate (C32 H58 N2 O7 S, 614.9 g/mol), in the MolNFT structures on GenesisL1: bound in 65 records (48 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
CPS
Formula
C32 H58 N2 O7 S
Class
ligand
Structures
65
PDB entries
48

Binding sites

CPS in 65 structures; the first of them:

  • 5FEP · HydE from T. maritima in complex with (2R,4R)-MeTDA · CPS A402 · binds VAL97, GLN98, PHE99, GLY100, PRO321, MET324
  • 5FES · HydE from T. maritima in complex with (2R,4R)-MeSeTDA · CPS A402 · binds VAL97, GLN98, PHE99, GLY100, PRO321, MET324
  • 5FEW · HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product) · CPS A402 · binds VAL97, GLN98, PHE99, GLY100, PRO321, MET324
  • 5FEX · HydE from T. maritima in complex with Se-adenosyl-L-selenocysteine (tfinal of the… · CPS A402 · binds VAL97, GLN98, PHE99, GLY100, MET324
  • 5FEZ · HydE from T. maritima in complex with (2R,4R)-MeSeTDA, 5'-deoxyadenosine and methionine · CPS A402 · binds VAL97, GLN98, PHE99, GLY100, MET324
  • 5FF0 · HydE from T. maritima in complex with S-adenosyl-L-cysteine and methionine · CPS A402 · binds VAL97, GLN98, PHE99, GLY100, PRO321, MET324
  • 5FF2 · HydE from T. maritima in complex with (2R,4R)-TDA · CPS A402 · binds VAL97, GLN98, PHE99, GLY100, PRO321, MET324
  • 5FF3 · HydE from T. maritima in complex with 4R-TCA · CPS A402 · binds VAL97, GLN98, PHE99, GLY100, PRO321, MET324

Residues it binds most

LEU 156, PHE 145, TYR 105, VAL 114, ILE 93, ALA 58, GLU 96, LYS 74, THR 61, PRO 55 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SF4 · Iron/sulfur cluster
  • PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine
  • GOL · Glycerol
  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion
  • HEM · Protoporphyrin IX containing Fe
  • SAH · S-adenosyl-L-homocysteine
  • FE2 · Fe (II) ion
  • CMO · Carbon monoxide
  • CYN · Cyanide ion
  • IOD · Iodide ion

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