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Crystal structure of a trap periplasmic solute binding protein from verminephrobacter eiseniae EF01-2 (VEIS_3954, target efi-510324) a nephridial symbiont of the earthworm eisenia foetida, bound to (R)- pantoic acid

Analyse Crystal structure of a trap periplasmic solute binding protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4PAK
Type
protein
Length
304 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trap dicarboxylate transporter, dctp subunit
UniProt
A1WPV4
Ligands
PAF, SO4
Pockets
2 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrap dicarboxylate transporter, dctp subunitprotein30451% helix, 21% strandA1WPV4

Ligands and binding sites

  • PAF · Pantoate · ligand · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1570.350.7816empty
2530.240.7212SO4

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 4PAK · CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM VERMINEPHROBACTER… · the same entry in another collection · chain A against A, TM-score 1.00
  • A1WPV4 · AlphaFold monomer V2.0 prediction for solute-binding protein VEIS_3954 (A1WPV4) · a predicted model of the same protein · chain A against A, TM-score 1.00

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