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Crystal structure of a trap periplasmic solute binding protein from desulfovibrio alaskensis G20 (DDE_1548), target efi-510103, with bound D-ala-D-ala

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
4NGU
Type
protein
Length
319 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trap dicarboxylate transporter, dctp subunit
UniProt
Q311Q1
Ligands
CL, SO4
Pockets
3 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrap dicarboxylate transporter, dctp subunitprotein31952% helix, 17% strandQ311Q1

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • SO4 · Sulfate ion · ion · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11550.470.7718empty
2860.400.7822empty
3570.290.7514empty

Modifications

Observed in the structure: 16 modified, 2 d-amino (engineered, D-amino acid).

Compared structures

  • 4NGU · Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio… · the same entry in another collection · chain A against A, TM-score 1.00

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