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Structure of recombinant haemophilus influenzae E(P4) acid phosphatase mutant D66N complexed with nmn

Analyse Structure of recombinant haemophilus influenzae E(P4) acid phosphatase mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OCU
Type
protein
Length
247 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipoprotein E
EC
3.1.3.2
UniProt
P26093
Ligands
NMN, MG
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALipoprotein E (EC 3.1.3.2)protein24751% helix, 15% strandP26093

Ligands and binding sites

  • NMN · Beta-nicotinamide ribose monophosphate · ligand · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14730.710.8162MG, NMN
2690.340.7616empty
3780.310.7315empty

Compared structures

  • 3OCU · Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N… · the same entry in another collection · chain A against A, TM-score 1.00
  • P26093 · AlphaFold monomer V2.0 prediction for lipoprotein E (P26093) · a predicted model of the same protein · chain A against A, TM-score 0.99

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