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Crystal structure of archaeoglobus fulgidus ipct-dipps bifunctional membrane protein

Analyse Crystal structure of archaeoglobus fulgidus ipct-dipps bifunctional membrane… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4MND
Type
protein
Length
408 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CTP L-myo-inositol-1-phosphate CYTIDYLYLTRANSFERASE/CDP-L- myo-inositol…
EC
2.7.7.74, 2.7.8.34
UniProt
O29976
Ligands
LFA, MG
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACTP L-myo-inositol-1-phosphate CYTIDYLYLTRANSFERASE/CDP-L- myo-inositol myo-inositolphosphotransferase (EC 2.7.7.74, 2.7.8.34)protein40855% helix, 16% strandO29976

Ligands and binding sites

  • LFA · Eicosane · ligand · 4 copies · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16100.680.7856empty
22400.550.7737empty
3730.420.8014empty

Compared structures

  • 4MND · Crystal structure of Archaeoglobus fulgidus IPCT-DIPPS bifunctional membrane protein · the same entry in another collection · chain A against A, TM-score 1.00
  • O29976 · AlphaFold monomer V2.0 prediction for bifunctional ipc transferase and dipp synthase… · a predicted model of the same protein · chain A against A, TM-score 0.99

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