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High resolution X-ray structure of OMP32 in complex with malate

Analyse High resolution X-ray structure of OMP32 in complex with malate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2FGQ
Type
protein
Length
330 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane porin protein 32
UniProt
P24305
Ligands
MLT, CA, SO4
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 58% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XOuter membrane porin protein 32protein3304% helix, 58% strandP24305

Ligands and binding sites

  • MLT · D-malate · ligand · chains X
  • CA · Calcium ion · metal · 3 copies · chains X
  • SO4 · Sulfate ion · ion · 2 copies · chains X
  • BOG · octyl beta-D-glucopyranoside · additive · chains X

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14930.640.7751SO4, MLT

Compared structures

  • 2FGQ · High resolution X-ray structure of Omp32 in complex with malate · the same entry in another collection · chain X against X, TM-score 1.00
  • P24305 · AlphaFold monomer V2.0 prediction for outer membrane porin protein 32 (P24305) · a predicted model of the same protein · chain X against A, TM-score 1.00

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