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Crystal structure of a marine metagenome trap solute binding protein specific for pyroglutamate (sorcerer II global ocean sampling expedition, unidentified microbe, SCF7180008839099) in complex with co-purified pyroglutamate

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

PDB
6WGM
Type
protein
Length
304 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trap-type C4-dicarboxylate transport system, periplasmic component
UniProt
G5ZWD6
Ligands
PCA, CL
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrap-type C4-dicarboxylate transport system, periplasmic componentprotein30453% helix, 17% strandG5ZWD6

Ligands and binding sites

  • PCA · Pyroglutamic acid · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • FMT · Formic acid · additive · 10 copies · chains A
  • EDO · 1,2-ethanediol · additive · 6 copies · chains A

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
11300.520.8118EDO

Compared structures

  • 6WGM · Crystal structure of a marine metagenome TRAP solute binding protein specific for… · the same entry in another collection · chain A against A, TM-score 1.00

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