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Crystal structure of rat peroxisomal multifunctional enzyme type 1 (RPMFE1) in apo form

Analyse Crystal structure of rat peroxisomal multifunctional enzyme type 1 (RPMFE1) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZW8
Type
protein
Length
1,445 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxisomal bifunctional enzyme
EC
4.2.1.17, 5.3.3.8, 1.1.1.35
UniProt
P07896
Ligands
SO4
Pockets
16 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeroxisomal bifunctional enzyme (EC 4.2.1.17, 5.3.3.8, 1.1.1.35)protein72549% helix, 13% strandP07896
BPeroxisomal bifunctional enzyme (EC 4.2.1.17, 5.3.3.8, 1.1.1.35)protein72050% helix, 13% strandP07896

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Pockets

16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110480.790.8077empty
24660.750.8470SO4
32370.670.8426empty
42640.630.8143GOL, SO4
52890.630.8046SO4

Interfaces

1 interface between chains.

  • A–B · 850 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 3ZW8 · Crystal Structure Of Rat Peroxisomal Multifunctional Enzyme Type 1 (rpMFE1) In Apo Form · the same entry in another collection · chain A against A, TM-score 1.00
  • P07896 · AlphaFold monomer V2.0 prediction for peroxisomal bifunctional enzyme (P07896) · a predicted model of the same protein · chain A against A, TM-score 0.97

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