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MolNFT v1 · #62895 · protein

Structure of recombinant haemophilus influenzae E(P4) acid phosphatase

3ET4 · Outer membrane protein P4, NADP phosphatase: “Structure of recombinant haemophilus influenzae E(P4) acid phosphatase”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.72). MolNFT v1 #62895 on GenesisL1: 3D…

PDB
3ET4
Type
protein
Length
244 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane protein P4, NADP phosphatase
EC
3.1.3.2
UniProt
Q4QMM5
Ligands
MG
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane protein P4, NADP phosphatase (EC 3.1.3.2)protein24450% helix, 15% strandQ4QMM5

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • PG4 · Tetraethylene glycol · additive · 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
15580.720.8055MG, PG4
2930.360.7417empty
3630.330.7714empty

Compared structures

  • 3ET4 · Structure of Recombinant Haemophilus Influenzae E(P4) Acid Phosphatase · the same entry in another collection · chain A against A, TM-score 1.00

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