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Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl- CoA

Analyse Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl- CoA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N95
Type
protein
Length
1,560 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P52045
Ligands
YXS, YXR, NI, K

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F—protein260—P52045

Ligands and binding sites

  • YXS · (2S)-sulfonatepropionyl-CoA · ligand · 6 copies · chains A, B, C, D, E, F
  • YXR · (2R)-sulfonatepropionyl-CoA · ligand · 6 copies · chains A, B, C, D, E, F
  • NI · Nickel (II) ion · metal · 2 copies · chains A, B, C, D, E, F
  • K · Potassium ion · metal · 2 copies · chains C
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains C, F
  • PG4 · Tetraethylene glycol · additive · chains C
  • PGE · Triethylene glycol · additive · chains F

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

Compared structures

  • 6N95 · Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA · the same entry in another collection · chain C against C, TM-score 1.00
  • P52045 · AlphaFold monomer V2.0 prediction for methylmalonyl-CoA decarboxylase (P52045) · a predicted model of the same protein · chain A against A, TM-score 1.00

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