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MolNFT v1 · #168401 · protein

Methylmalonyl-CoA epimerase in complex with 2-nitronate-propionyl-CoA

6WFI: “Methylmalonyl-CoA epimerase in complex with 2-nitronate-propionyl-CoA”. X-ray diffraction, 4 ligands (KFV, CO, SO4). MolNFT v1 #168401 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6WFI
Type
protein
Length
144 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9L2C2
Ligands
KFV, CO, SO4, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein144—Q9L2C2

Ligands and binding sites

  • KFV · [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium · ligand · chains A
  • CO · Cobalt (II) ion · metal · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • CL · Chloride ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6WFI · Methylmalonyl-CoA epimerase in complex with 2-nitronate-propionyl-CoA · the same entry in another collection · chain A against A, TM-score 1.00

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